UCSF

ZINC39911920

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 29 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) 4.48 6.74 -11.65 3 6 0 89 391.471 5
Hi High (pH 8-9.5) 4.25 6.97 -55.71 1 6 -1 88 390.463 5
Hi High (pH 8-9.5) 4.25 7.16 -45.69 1 6 -1 88 390.463 5
Hi High (pH 8-9.5) 4.48 7.61 -46.27 2 6 -1 92 390.463 5

Activity (Go SEA)

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