UCSF

ZINC15884908

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2008 24 No

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) 1.48 1.77 -14.12 3 8 0 117 391.181 4
Hi High (pH 8-9.5) 1.94 0.02 -41.84 2 8 -1 120 390.173 4
Mid Mid (pH 6-8) 2.39 0.23 -47.96 2 8 -1 123 390.173 4
Mid Mid (pH 6-8) 2.39 -0.71 -44.45 2 8 -1 123 390.173 4

Activity (Go SEA)

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