UCSF

ZINC48748772

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 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) 2.69 9.12 -63.66 2 4 1 53 326.395 5
Mid Mid (pH 6-8) 2.69 7.76 -9.72 1 4 0 48 325.387 5

Activity (Go SEA)

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