UCSF

ZINC28008591

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 22 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) 3.50 8.79 -35.89 1 4 1 31 296.394 6
Hi High (pH 8-9.5) 3.50 6.19 -8.38 0 4 0 30 295.386 6

Activity (Go SEA)

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