UCSF

ZINC19359733

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 23 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 7.99 -40.06 1 4 1 26 319.469 5
Hi High (pH 8-9.5) 3.19 5.72 -5.71 0 4 0 25 318.461 5

Activity (Go SEA)

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