UCSF

ZINC20150292

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 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) 2.80 5.35 -52.46 0 8 -1 103 409.418 6
Lo Low (pH 4.5-6) 2.34 7.12 -13.67 1 8 0 100 410.426 6

Activity (Go SEA)

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