UCSF

ZINC43425717

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 16 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) 1.40 1.53 -2.08 1 3 0 24 224.348 1
Lo Low (pH 4.5-6) 1.40 4.98 -109.56 3 3 2 30 226.364 1
Lo Low (pH 4.5-6) 1.40 3.66 -30.37 2 3 1 26 225.356 1

Activity (Go SEA)

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