UCSF

ZINC19513241

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 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) 1.35 5.84 -33.36 4 3 1 55 272.397 3
Mid Mid (pH 6-8) 1.35 8.07 -106.86 5 3 2 56 273.405 3

Activity (Go SEA)

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