UCSF

ZINC19231171

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 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) 4.14 9.34 -75.73 3 3 1 44 334.311 9
Mid Mid (pH 6-8) 4.14 8.68 -101.96 4 3 2 41 335.319 9

Activity (Go SEA)

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