UCSF

ZINC06648380

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2006 22 No

Download: MOL2 SDF SMILES Flexibase

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) -2.72 -3.83 -46.76 1 5 1 48 317.438 2
Mid Mid (pH 6-8) -2.26 -1.72 -103.6 2 5 2 50 318.446 2

Activity (Go SEA)

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