UCSF

ZINC09274234

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 32 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) 2.84 7.71 -50.21 0 8 -1 97 440.472 9
Mid Mid (pH 6-8) 3.28 5.87 -13.6 1 8 0 95 441.48 8
Mid Mid (pH 6-8) 2.25 1.31 -14.09 0 8 0 91 441.48 9

Activity (Go SEA)

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