UCSF

ZINC33586183

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 21 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) 3.42 8.18 -13.19 1 3 0 46 272.307 2
Lo Low (pH 4.5-6) 3.42 8.62 -55.02 2 3 1 47 273.315 2

Activity (Go SEA)

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