UCSF

ZINC04755302

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 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) 4.63 11.27 -11.15 1 5 0 48 393.874 6
Mid Mid (pH 6-8) 4.63 11.71 -34.46 2 5 1 49 394.882 6

Activity (Go SEA)

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