UCSF

ZINC04385676

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2005 24 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) 2.61 8.09 -15.89 1 5 0 56 323.396 7
Mid Mid (pH 6-8) 2.61 8.39 -37.83 2 5 1 57 324.404 7

Activity (Go SEA)

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