UCSF

ZINC20130516

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 29 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) 5.86 13.3 -50.01 0 5 -1 68 426.949 5
Mid Mid (pH 6-8) 5.86 11.36 -48.02 1 5 0 70 427.957 5
Mid Mid (pH 6-8) 5.86 12.8 -56.78 1 5 0 70 427.957 5
Lo Low (pH 4.5-6) 5.86 13.61 -35.57 1 5 0 70 427.957 5

Activity (Go SEA)

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