UCSF

ZINC20901103

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 24 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) 1.79 2.57 -22.23 1 6 0 71 349.456 6
Mid Mid (pH 6-8) 1.79 4.89 -65.02 2 6 1 72 350.464 6

Activity (Go SEA)

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