UCSF

ZINC04732954

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 21 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) 3.00 9.89 -22.32 1 5 0 63 276.299 1
Mid Mid (pH 6-8) 3.46 8.47 -55.1 0 5 -1 66 275.291 1

Activity (Go SEA)

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