UCSF

ZINC09369654

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 34 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) 6.64 14.98 -14.56 2 4 0 65 506.458 6
Mid Mid (pH 6-8) 7.15 -0.82 -9.17 1 4 0 65 506.458 6
Mid Mid (pH 6-8) 7.15 0.89 -16.43 1 4 0 65 506.458 6
Mid Mid (pH 6-8) 6.97 -0.49 -8.78 1 4 0 65 506.458 6

Activity (Go SEA)

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