UCSF

ZINC42469983

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 No

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) 1.50 8.89 -42.69 2 5 1 47 271.41 6
Hi High (pH 8-9.5) 2.23 8.63 -41.5 1 5 0 44 270.402 6
Hi High (pH 8-9.5) 2.23 9.47 -47.69 0 5 -1 43 269.394 6

Activity (Go SEA)

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