UCSF

ZINC06689510

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 28 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) 3.36 10.96 -18.66 0 5 0 51 391.393 7
Mid Mid (pH 6-8) 3.36 11.51 -37.36 1 5 1 53 392.401 7

Activity (Go SEA)

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