UCSF

ZINC01843087

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 18 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) 3.69 -0.77 -7.73 2 2 0 38 234.302 1
Mid Mid (pH 6-8) 3.69 -0.67 -23.63 3 2 1 40 235.31 1

Activity (Go SEA)

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