UCSF

ZINC59628608

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2011 19 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) 5.27 13.3 -31.39 1 2 1 19 263.449 8
Mid Mid (pH 6-8) 5.27 12.78 -5.75 0 2 0 18 262.441 8

Activity (Go SEA)

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