UCSF

ZINC06702966

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2006 23 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.23 6.73 -28.7 2 7 0 96 346.441 6
Hi High (pH 8-9.5) 2.23 6.58 -55.72 1 7 -1 95 345.433 6
Hi High (pH 8-9.5) 2.42 5.66 -46.45 1 7 -1 103 345.433 6

Activity (Go SEA)

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