UCSF

ZINC43912271

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 20 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) 3.30 9.27 -105.68 3 3 2 30 278.44 6
Hi High (pH 8-9.5) 3.30 7.27 -31.5 2 3 1 29 277.432 6
Hi High (pH 8-9.5) 3.30 8.25 -27.59 2 3 1 26 277.432 6

Activity (Go SEA)

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