UCSF

ZINC39854116

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 26 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) 5.25 8.62 -12.43 1 5 0 64 372.852 6
Ref Reference (pH 7) 5.25 9.32 -13.4 1 5 0 64 372.852 6
Hi High (pH 8-9.5) 5.25 10.45 -62.12 0 5 -1 67 371.844 6
Hi High (pH 8-9.5) 5.25 9.63 -55.84 0 5 -1 67 371.844 6

Activity (Go SEA)

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