UCSF

ZINC27974428

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2009 22 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) 1.52 4.62 -14.31 1 6 0 70 300.314 5
Lo Low (pH 4.5-6) 1.52 5.06 -49.62 2 6 1 71 301.322 5

Activity (Go SEA)

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