UCSF

ZINC33844023

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2009 14 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) 3.84 7.34 -44 0 2 -1 40 195.282 2
Lo Low (pH 4.5-6) 3.84 5.25 -6.18 1 2 0 37 196.29 2
Lo Low (pH 4.5-6) 3.84 5.68 -5.98 1 2 0 37 196.29 2

Activity (Go SEA)

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