UCSF

ZINC06752855

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 30 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) 4.51 7.96 -13.68 2 6 0 78 405.498 7
Mid Mid (pH 6-8) 4.51 8.72 -54.5 1 6 -1 81 404.49 7

Activity (Go SEA)

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