UCSF

ZINC19837744

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 18 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) 2.75 5.49 -13.16 1 4 0 50 251.326 6
Hi High (pH 8-9.5) 2.75 6.35 -60.01 0 4 -1 53 250.318 6

Activity (Go SEA)

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