UCSF

ZINC36222137

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) 3.70 9.18 -10.73 2 3 0 43 292.169 1
Mid Mid (pH 6-8) 3.70 9.59 -28.65 3 3 1 45 293.177 1

Activity (Go SEA)

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