UCSF

ZINC09243482

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 33 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) 3.82 9.57 -60.67 0 7 -1 88 452.527 11
Mid Mid (pH 6-8) 3.24 0.86 -11.82 0 7 0 82 453.535 11
Mid Mid (pH 6-8) 4.27 9.47 -14.68 1 7 0 85 453.535 10

Activity (Go SEA)

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