UCSF

ZINC47864677

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2010 19 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) 0.95 4.49 -38.27 2 6 1 69 273.353 8
Hi High (pH 8-9.5) 0.95 2.33 -9.14 1 6 0 68 272.345 8

Activity (Go SEA)

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