UCSF

ZINC04957399

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 26 No

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) 3.35 10.12 -14.57 1 7 0 93 368.418 6
Mid Mid (pH 6-8) 3.35 10.57 -48.54 2 7 1 94 369.426 6

Activity (Go SEA)

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