UCSF

ZINC04754580

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 29 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) 5.64 13.71 -16.75 1 5 0 56 393.531 7
Mid Mid (pH 6-8) 5.64 14.02 -27.76 2 5 1 57 394.539 7

Activity (Go SEA)

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