UCSF

ZINC69980600

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 20 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) 1.38 8.29 -34.83 1 4 1 34 301.476 6
Hi High (pH 8-9.5) 1.38 5.96 -11.29 0 4 0 33 300.468 6

Activity (Go SEA)

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