UCSF

ZINC38965947

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2010 24 No

Popular Name: (3S,5R)-5-[(3S)-5-methyl-3H-pyrazol-3-yl]-4-[(E)-1-naphthylmethyleneamino]-1,2,4-triazolidine-3-thio (3S,5R)-5-[(3S)-5-methyl-3H-pyra…

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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) 3.32 4.04 -9.54 2 6 0 64 338.44 3 ↓
Hi High (pH 8-9.5) 3.32 4.57 -44.55 2 6 -1 64 337.432 3 ↓

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

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