UCSF

ZINC42909651

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 1.31 3.94 -110.41 5 3 2 52 250.386 6
Mid Mid (pH 6-8) 1.31 2.25 -39.95 4 3 1 51 249.378 6
Mid Mid (pH 6-8) 1.31 3.64 -28.1 4 3 1 51 249.378 6

Activity (Go SEA)

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