UCSF

ZINC43424951

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 1.10 3.48 -109.25 4 4 2 45 281.444 2
Hi High (pH 8-9.5) 1.10 2.89 -35.78 3 4 1 43 280.436 2
Hi High (pH 8-9.5) 1.10 1.2 -42.38 3 4 1 43 280.436 2

Activity (Go SEA)

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