UCSF

ZINC62598209

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 16 Yes

Popular Name: (2R)-2-(cyclopropylamino)-4-(1H-1,2,4-triazol-5-ylsulfanyl)butanamide (2R)-2-(cyclopropylamino)-4-(1H-…

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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) 0.01 1.89 -43.2 5 6 1 101 242.328 7 ↓
Hi High (pH 8-9.5) 0.01 0.87 -15.33 4 6 0 97 241.32 7 ↓

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

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