UCSF

ZINC19405818

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 19 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) 2.29 5.66 -41.35 2 4 1 46 284.811 6
Hi High (pH 8-9.5) 2.29 3.62 -8.7 1 4 0 45 283.803 6

Activity (Go SEA)

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