UCSF

ZINC36222129

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 3.24 9.53 -23.72 3 3 1 45 252.341 1
Mid Mid (pH 6-8) 3.24 9.58 -10.29 2 3 0 43 251.333 1

Activity (Go SEA)

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