UCSF

ZINC33816073

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 28 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) -0.38 -1.35 -16.11 4 11 0 144 395.416 5
Lo Low (pH 4.5-6) -0.38 -1.02 -44.83 5 11 1 145 396.424 5

Activity (Go SEA)

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