UCSF

ZINC40137618

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 31 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) 5.25 9.24 -20.31 2 7 0 93 435.867 6
Ref Reference (pH 7) 5.25 9.08 -27.47 2 7 0 93 435.867 6
Hi High (pH 8-9.5) 5.25 10.24 -69.29 1 7 -1 96 434.859 6
Hi High (pH 8-9.5) 5.25 10.07 -75.5 1 7 -1 96 434.859 6

Activity (Go SEA)

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