UCSF

ZINC43243910

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 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) 3.16 6.3 -52.06 3 2 1 37 284.351 4
Hi High (pH 8-9.5) 3.16 5.97 -5.6 2 2 0 35 283.343 4

Activity (Go SEA)

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