UCSF

ZINC44680758

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 19 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) 1.25 2.16 -51.54 3 5 1 72 287.405 8
Hi High (pH 8-9.5) 1.25 0.72 -8.48 2 5 0 67 286.397 8

Activity (Go SEA)

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