UCSF

ZINC12445697

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 21 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) 4.61 8.27 -52.92 0 3 -1 52 276.315 1
Mid Mid (pH 6-8) 4.61 7.8 -51.72 0 3 -1 52 276.315 1
Mid Mid (pH 6-8) 4.61 6.96 -9.57 1 3 0 50 277.323 1
Mid Mid (pH 6-8) 4.61 7.41 -9.34 1 3 0 50 277.323 1

Activity (Go SEA)

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