UCSF

ZINC05062205

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2006 30 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) 2.01 5.87 -56.98 1 9 -1 136 411.39 8
Mid Mid (pH 6-8) 2.45 4.84 -29.83 2 9 0 133 412.398 7
Mid Mid (pH 6-8) 1.42 5.81 -23.91 1 9 0 130 412.398 8

Activity (Go SEA)

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