UCSF

ZINC34542111

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 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) 5.31 8.74 -13.41 1 6 0 78 356.422 8
Lo Low (pH 4.5-6) 5.31 9.2 -42.7 2 6 1 79 357.43 8

Activity (Go SEA)

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