UCSF

ZINC67298295

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2011 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) 1.49 -1.32 -38.68 6 7 1 134 324.316 3
Hi High (pH 8-9.5) 1.55 0.85 -27.46 5 7 0 128 323.308 4

Activity (Go SEA)

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