UCSF

ZINC43395854

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 0.59 6.73 -184.51 5 4 3 49 249.382 3
Mid Mid (pH 6-8) 0.59 6.28 -102.41 4 4 2 48 248.374 3
Mid Mid (pH 6-8) 0.59 4.08 -47.34 3 4 1 47 247.366 3

Activity (Go SEA)

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