UCSF

ZINC20872635

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 26 Yes

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) 1.77 7.13 -49.41 3 6 1 77 358.462 9
Hi High (pH 8-9.5) 1.77 5.7 -13.84 2 6 0 72 357.454 9

Activity (Go SEA)

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