UCSF

ZINC06557789

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2006 21 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) 2.96 4.95 -20.92 2 5 0 74 299.717 2
Ref Reference (pH 7) 2.96 5.12 -13.93 2 5 0 74 299.717 2
Hi High (pH 8-9.5) 3.42 3.06 -61.27 1 5 -1 77 298.709 2
Hi High (pH 8-9.5) 3.42 3.38 -48.3 1 5 -1 77 298.709 2

Activity (Go SEA)

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