UCSF

ZINC25525428

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 24 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) 2.61 1.76 -21.71 3 6 0 106 386.882 6
Hi High (pH 8-9.5) 2.61 2.45 -47.04 2 6 -1 104 385.874 6
Hi High (pH 8-9.5) 2.61 2.52 -91.08 1 6 -2 106 384.866 6
Mid Mid (pH 6-8) 2.61 1.84 -51.36 2 6 -1 108 385.874 6

Activity (Go SEA)

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