UCSF

ZINC70514109

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 20 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) 3.19 5.98 -37.6 3 3 1 40 283.411 9
Hi High (pH 8-9.5) 3.19 4.68 -5.33 2 3 0 35 282.403 9

Activity (Go SEA)

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