UCSF

ZINC06794428

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 31 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) 4.33 11.97 -45.44 2 6 0 84 422.456 9
Mid Mid (pH 6-8) 4.33 10.62 -52.73 1 6 -1 79 421.448 9

Activity (Go SEA)

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