UCSF

ZINC36096666

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 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) 4.09 8.37 -34.36 2 2 1 25 270.462 9
Hi High (pH 8-9.5) 4.09 5.95 -3.16 1 2 0 23 269.454 9

Activity (Go SEA)

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