UCSF

ZINC40148713

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 22 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) 6.05 13.5 -104.84 2 2 2 9 310.57 9
Hi High (pH 8-9.5) 6.05 13.1 -30.21 1 2 1 8 309.562 9

Activity (Go SEA)

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