UCSF

ZINC39500873

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 25 No

Popular Name: 5-[2-[(3S)-3,5-dimethyl-3H-pyrazol-4-yl]ethyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl) 5-[2-[(3S)-3,5-dimethyl-3H-pyraz…

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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) 2.16 4.52 -53.95 2 7 1 93 339.423 4 ↓
Mid Mid (pH 6-8) 2.16 4.94 -112.9 3 7 2 94 340.431 4 ↓
Mid Mid (pH 6-8) 2.16 3.16 -11.5 1 7 0 89 338.415 4 ↓
Mid Mid (pH 6-8) 2.16 3.58 -40.6 2 7 1 90 339.423 4 ↓

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

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