UCSF

ZINC19872374

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 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) -0.52 2.03 -41.84 5 4 1 74 266.34 3
Hi High (pH 8-9.5) -0.52 1.76 -11.83 4 4 0 72 265.332 3

Activity (Go SEA)

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