UCSF

ZINC53156956

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 17 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) 3.05 6.36 -48.2 2 2 1 20 259.776 7
Mid Mid (pH 6-8) 3.05 8.47 -125.32 3 2 2 21 260.784 7
Mid Mid (pH 6-8) 3.05 7.1 -36.95 2 2 1 16 259.776 7

Activity (Go SEA)

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