UCSF

ZINC08831399

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 25 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) 3.72 8.37 -9.99 2 5 0 71 376.844 6
Mid Mid (pH 6-8) 3.72 8.17 -42.89 1 5 -1 69 375.836 6

Activity (Go SEA)

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