UCSF

ZINC37801373

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 2.02 7.01 -38.47 2 4 1 46 309.455 5
Hi High (pH 8-9.5) 2.02 5.74 -8.24 1 4 0 42 308.447 5

Activity (Go SEA)

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