UCSF

ZINC33710755

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.68 8.03 -47.07 0 3 -1 57 217.244 3
Lo Low (pH 4.5-6) 1.68 6.08 -10.29 1 3 0 54 218.252 3

Activity (Go SEA)

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