UCSF

ZINC16150584

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2008 29 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) 4.35 5.02 -13.72 2 6 0 92 458.895 6
Hi High (pH 8-9.5) 4.35 5.08 -37.1 1 6 -1 94 457.887 6
Hi High (pH 8-9.5) 4.35 5.08 -35.66 1 6 -1 94 457.887 6
Hi High (pH 8-9.5) 4.35 5.13 -98.52 0 6 -2 96 456.879 6

Activity (Go SEA)

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