UCSF

ZINC02174915

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 23 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) 5.30 7.03 -9.23 1 4 0 55 344.823 2
Hi High (pH 8-9.5) 5.30 8.11 -37.44 0 4 -1 57 343.815 2
Hi High (pH 8-9.5) 5.30 7.8 -36.92 0 4 -1 57 343.815 2

Activity (Go SEA)

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