UCSF

ZINC43902766

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 2.30 4.61 -35.38 2 3 1 29 247.362 2
Hi High (pH 8-9.5) 2.30 3.72 -3.06 1 3 0 24 246.354 2
Mid Mid (pH 6-8) 2.30 5.61 -34.24 2 3 1 26 247.362 2
Mid Mid (pH 6-8) 2.30 6.08 -107.26 3 3 2 30 248.37 2

Activity (Go SEA)

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