UCSF

ZINC49510459

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 16 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) 2.85 6.98 -29.74 2 2 1 26 239.339 3
Hi High (pH 8-9.5) 2.85 6.9 -29.41 2 2 1 26 239.339 2
Hi High (pH 8-9.5) 2.85 6.1 -5.6 1 2 0 24 238.331 2

Activity (Go SEA)

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