UCSF

ZINC69619404

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 25 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) 1.92 7.96 -46.07 2 6 1 73 342.419 6
Hi High (pH 8-9.5) 1.92 5.49 -11.99 1 6 0 71 341.411 6

Activity (Go SEA)

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