UCSF

ZINC36222012

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) 3.90 10 -24.11 3 3 1 45 252.341 2
Mid Mid (pH 6-8) 3.90 9.6 -10.78 2 3 0 43 251.333 2

Activity (Go SEA)

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