UCSF

ZINC38738980

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 20 No

Popular Name: 2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-1-[(2S)-2,5-dimethyl-1-propyl-2,3-dihydropyrrol-4-yl]eth 2-[(3-amino-1H-1,2,4-triazol-5-y…

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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) 1.60 7.82 -12.11 3 6 0 88 295.412 6 ↓
Lo Low (pH 4.5-6) 1.60 8.21 -40.63 4 6 1 89 296.42 6 ↓

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

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