UCSF

ZINC44675755

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.13 5.05 -96.31 4 3 2 36 247.386 5
Hi High (pH 8-9.5) 1.13 3.76 -39.11 3 3 1 32 246.378 5

Activity (Go SEA)

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