UCSF

ZINC19889843

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 21 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) 2.48 9.47 -84.95 2 3 2 12 289.467 3
Mid Mid (pH 6-8) 2.48 7 -37.72 1 3 1 11 288.459 3
Mid Mid (pH 6-8) 2.48 9.25 -105.21 2 3 2 12 289.467 3

Activity (Go SEA)

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