UCSF

ZINC51364631

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2010 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) 2.43 9.61 -52.54 3 6 1 85 412.554 6
Ref Reference (pH 7) 2.43 9.62 -48.6 3 6 1 85 412.554 6
Mid Mid (pH 6-8) 2.43 7.42 -10.59 2 6 0 84 411.546 6
Mid Mid (pH 6-8) 2.43 7.19 -15.44 2 6 0 84 411.546 6

Activity (Go SEA)

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