UCSF

ZINC33847072

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2009 16 No

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) 2.94 7.55 -10.6 0 2 0 30 209.248 3
Lo Low (pH 4.5-6) 2.94 7.89 -38.54 1 2 1 31 210.256 3

Activity (Go SEA)

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