UCSF

ZINC44867766

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 18 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) 2.92 6.84 -33.71 1 3 1 17 269.796 5
Hi High (pH 8-9.5) 2.92 4.56 -5.21 0 3 0 16 268.788 5
Mid Mid (pH 6-8) 2.92 6.83 -34.99 1 3 1 17 269.796 5

Activity (Go SEA)

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