UCSF

ZINC19401559

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 15 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) 0.98 5.25 -41.76 3 2 1 37 208.325 4
Hi High (pH 8-9.5) 0.98 4.93 -2.9 2 2 0 35 207.317 4

Activity (Go SEA)

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