UCSF

ZINC43902637

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) 3.22 8.92 -105.57 3 2 2 21 248.414 4
Mid Mid (pH 6-8) 3.22 8.97 -28.24 2 2 1 16 247.406 4
Mid Mid (pH 6-8) 3.22 6.97 -38.57 2 2 1 20 247.406 4

Activity (Go SEA)

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