UCSF

ZINC08307405

Substance Information

In ZINC since Heavy atoms Benign functionality
July 8th, 2006 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) 2.52 8.57 -48.81 3 5 1 65 335.431 4
Mid Mid (pH 6-8) 2.52 9.01 -101.57 4 5 2 66 336.439 4

Activity (Go SEA)

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