UCSF

ZINC47523526

Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 2010 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) 2.58 9.54 -49.05 2 5 1 50 325.436 4
Mid Mid (pH 6-8) 2.58 7.17 -14.44 1 5 0 48 324.428 4

Activity (Go SEA)

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