UCSF

ZINC48558689

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 20 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) 0.68 3.06 -9.24 1 8 0 88 283.332 5
Mid Mid (pH 6-8) 0.68 5.16 -44.95 2 8 1 89 284.34 5

Activity (Go SEA)

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