UCSF

ZINC09272063

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 27 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) 3.94 9.68 -53.28 0 5 -1 73 440.298 4
Mid Mid (pH 6-8) 4.39 8.78 -31.33 1 5 0 71 441.306 3
Mid Mid (pH 6-8) 3.36 9.76 -22.88 0 5 0 67 441.306 4

Activity (Go SEA)

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