UCSF

ZINC20411413

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 37 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) -1.44 10.57 -34.23 3 10 1 121 504.567 8
Lo Low (pH 4.5-6) -1.37 8.83 -101.33 4 10 2 126 505.575 8

Activity (Go SEA)

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