UCSF

ZINC16153230

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2008 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) 4.37 4.94 -14.72 2 6 0 92 485.356 6
Hi High (pH 8-9.5) 4.37 5.04 -47.06 1 6 -1 94 484.348 6
Hi High (pH 8-9.5) 4.37 5.02 -42.57 1 6 -1 94 484.348 6
Hi High (pH 8-9.5) 4.37 5.12 -100.81 0 6 -2 96 483.34 6

Activity (Go SEA)

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