UCSF

ZINC67088454

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2011 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) 1.41 2.89 -72.7 0 6 -1 87 338.315 2
Mid Mid (pH 6-8) 1.35 4.42 -35.09 1 6 0 81 339.323 2

Activity (Go SEA)

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