UCSF

ZINC39911674

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.58 8.22 -11.66 2 6 0 78 470.367 6
Ref Reference (pH 7) 4.58 8.86 -13.01 2 6 0 78 470.367 6
Hi High (pH 8-9.5) 4.36 9 -43.33 0 6 -1 77 469.359 6
Hi High (pH 8-9.5) 4.36 8.53 -51.58 0 6 -1 77 469.359 6
Hi High (pH 8-9.5) 4.58 9.06 -36.69 1 6 -1 81 469.359 6

Activity (Go SEA)

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