UCSF

ZINC39912483

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 37 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) 5.13 11.12 -17.51 2 7 0 88 501.558 7
Hi High (pH 8-9.5) 4.90 11.67 -45.82 0 7 -1 87 500.55 7
Hi High (pH 8-9.5) 4.90 11.37 -58.55 0 7 -1 87 500.55 7
Hi High (pH 8-9.5) 5.13 12.25 -39.82 1 7 -1 91 500.55 7

Activity (Go SEA)

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