UCSF

ZINC57394784

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2011 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) 4.32 8.74 -41.91 2 1 1 17 260.323 6
Hi High (pH 8-9.5) 4.32 7.8 -3.4 1 1 0 12 259.315 6

Activity (Go SEA)

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