UCSF

ZINC49017041

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 23 No

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) 1.22 4.39 -37.03 4 6 1 84 331.421 7
Mid Mid (pH 6-8) 1.22 3.92 -11.57 3 6 0 83 330.413 7

Activity (Go SEA)

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