UCSF

ZINC43609541

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 37 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) 2.52 8.8 -65.16 4 8 1 104 504.655 6
Mid Mid (pH 6-8) 2.98 8.61 -62.52 3 8 0 108 503.647 6

Activity (Go SEA)

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