UCSF

ZINC33975749

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2009 17 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) 1.81 4.81 -7.36 3 4 0 56 230.315 4
Mid Mid (pH 6-8) 1.81 4.94 -26.38 4 4 1 57 231.323 4

Activity (Go SEA)

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