UCSF

ZINC34682517

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 25 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) 4.06 13.18 -35.72 1 3 1 25 357.543 6
Hi High (pH 8-9.5) 4.06 10.93 -6.86 0 3 0 24 356.535 6

Activity (Go SEA)

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