UCSF

ZINC06797253

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 26 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) 3.68 9.76 -19.9 1 6 0 68 350.422 5
Lo Low (pH 4.5-6) 3.68 9.94 -51.17 2 6 1 70 351.43 5

Activity (Go SEA)

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