UCSF

ZINC15076718

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 27 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) 4.49 10.11 -12.37 1 4 0 55 353.425 3
Lo Low (pH 4.5-6) 4.56 9.1 -47.61 2 4 1 60 354.433 3
Lo Low (pH 4.5-6) 4.49 10.39 -47.32 2 4 1 56 354.433 3

Activity (Go SEA)

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