UCSF

ZINC36222232

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 15 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) 3.48 7.03 -6.53 2 3 0 43 223.707 1
Mid Mid (pH 6-8) 3.48 7.44 -24.38 3 3 1 45 224.715 1

Activity (Go SEA)

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