UCSF

ZINC43899957

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) 2.50 6.7 -115.37 3 3 2 30 254.418 2
Hi High (pH 8-9.5) 2.50 3.25 -1.37 1 3 0 24 252.402 2
Mid Mid (pH 6-8) 2.50 5.6 -29.51 2 3 1 26 253.41 2

Activity (Go SEA)

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