UCSF

ZINC39911691

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 33 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) 3.45 7.01 -16.82 2 8 0 97 451.523 8
Hi High (pH 8-9.5) 3.22 6.69 -61.27 0 8 -1 96 450.515 8
Hi High (pH 8-9.5) 3.22 6.98 -53.59 0 8 -1 96 450.515 8
Hi High (pH 8-9.5) 3.45 7.99 -46.75 1 8 -1 100 450.515 8

Activity (Go SEA)

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