UCSF

ZINC42816155

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 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) 1.05 4.13 -58.91 2 4 1 60 296.412 3
Mid Mid (pH 6-8) 1.05 3.24 -12.97 1 4 0 55 295.404 3

Activity (Go SEA)

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