UCSF

ZINC20150198

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 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) 2.61 6.46 -62.12 0 8 -1 91 465.526 9
Mid Mid (pH 6-8) 2.61 8.8 -81.6 1 8 0 93 466.534 9
Lo Low (pH 4.5-6) 2.61 7.97 -59.89 2 8 1 90 467.542 9

Activity (Go SEA)

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