UCSF

ZINC05620404

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2006 26 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) 2.64 6.54 -21.55 2 9 0 129 354.322 5
Ref Reference (pH 7) 2.64 6.67 -19.69 2 9 0 129 354.322 5
Mid Mid (pH 6-8) 3.10 4.91 -38.39 1 9 -1 132 353.314 5
Mid Mid (pH 6-8) 3.10 4.65 -46.73 1 9 -1 132 353.314 5

Activity (Go SEA)

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