UCSF

ZINC04899111

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2006 23 No

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) 4.21 8.61 -50.77 3 3 1 49 350.269 2
Mid Mid (pH 6-8) 4.21 7.4 -6.44 2 3 0 45 349.261 2

Activity (Go SEA)

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