UCSF

ZINC43966369

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 2.90 5.65 -29.58 2 3 1 29 255.426 4
Hi High (pH 8-9.5) 2.90 4.3 -1.33 1 3 0 24 254.418 4
Hi High (pH 8-9.5) 2.90 6.7 -28.93 2 3 1 26 255.426 4

Activity (Go SEA)

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