UCSF

ZINC14359424

Substance Information

In ZINC since Heavy atoms Benign functionality
July 8th, 2008 20 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) 1.52 2.21 -89.28 6 6 2 91 288.436 11
Hi High (pH 8-9.5) 1.52 1.06 -45.09 5 6 1 87 287.428 11
Hi High (pH 8-9.5) 1.52 -0.11 -12.9 4 6 0 82 286.42 11

Activity (Go SEA)

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