UCSF

ZINC36222190

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 21 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) 4.69 10.94 -24.21 3 3 1 45 280.395 2
Mid Mid (pH 6-8) 4.69 10.53 -10.06 2 3 0 43 279.387 2

Activity (Go SEA)

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