UCSF

ZINC38598354

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 27 No

Popular Name: 2-[[(3R,5S)-4-phenyl-5-(4-pyridyl)-1,2,4-triazolidin-3-yl]sulfanyl]-N-[(3R)-3H-1,2,4-triazol-3-yl]ac 2-[[(3R,5S)-4-phenyl-5-(4-pyridy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.98 5.26 -42.25 3 9 -1 117 381.445 6 ↓
Ref Reference (pH 7) 0.98 3.05 -10.75 4 9 0 114 382.453 6 ↓
Mid Mid (pH 6-8) 0.98 5.72 -57.96 4 9 0 118 382.453 6 ↓
Mid Mid (pH 6-8) 0.79 6.52 -19.86 4 9 0 111 382.453 6 ↓
Mid Mid (pH 6-8) 0.79 6.78 -63.64 4 9 0 110 382.453 6 ↓
Mid Mid (pH 6-8) 0.98 2.88 -44.6 3 9 -1 113 381.445 6 ↓
Mid Mid (pH 6-8) 0.98 2.99 -14.96 4 9 0 114 382.453 6 ↓
Mid Mid (pH 6-8) 0.98 3.5 -37.64 5 9 1 116 383.461 6 ↓
Lo Low (pH 4.5-6) 0.97 6.36 -41.96 5 9 1 115 383.461 5 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.