UCSF

ZINC09340654

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 28 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) 0.47 -3.95 -17.56 2 7 0 91 380.448 6
Lo Low (pH 4.5-6) 0.47 -3.84 -51.52 3 7 1 92 381.456 6

Activity (Go SEA)

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