UCSF

ZINC44832277

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 18 No

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) 0.94 4.54 -38.12 4 4 1 60 272.438 7
Hi High (pH 8-9.5) 1.12 3.32 -39.24 3 4 0 66 271.43 7

Activity (Go SEA)

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