UCSF

ZINC38581542

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 20 No

Popular Name: 2-[(3S)-5-[(E)-2-(5-methyl-2-furyl)vinyl]-3H-1,2,4-triazol-3-yl]phenol 2-[(3S)-5-[(E)-2-(5-methyl-2-fur…

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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) 3.13 3.82 -36.44 2 5 1 72 268.296 3 ↓
Mid Mid (pH 6-8) 3.13 4.76 -102.87 3 5 2 74 269.304 3 ↓

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

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