UCSF

ZINC39911870

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) 6.27 10.39 -9.62 2 5 0 69 444.362 5
Hi High (pH 8-9.5) 6.04 10.8 -50.73 0 5 -1 68 443.354 5
Hi High (pH 8-9.5) 6.04 10.98 -40.48 0 5 -1 68 443.354 5
Hi High (pH 8-9.5) 6.27 11.44 -40.08 1 5 -1 72 443.354 5

Activity (Go SEA)

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