UCSF

ZINC04531793

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 17 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) 0.04 1.15 -22.89 0 4 0 55 226.235 3
Lo Low (pH 4.5-6) 0.04 1.25 -52.07 1 4 1 57 227.243 3

Activity (Go SEA)

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