UCSF

ZINC48639119

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.22 3.66 -34.49 2 5 1 52 257.354 6
Hi High (pH 8-9.5) 0.22 2.84 -40.91 2 5 1 55 257.354 6
Mid Mid (pH 6-8) 0.22 5 -100.94 3 5 2 57 258.362 6

Activity (Go SEA)

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