UCSF

ZINC12032516

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 22 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) 5.41 8.73 -38.77 0 3 -1 44 348.234 3
Hi High (pH 8-9.5) 6.36 6.84 -46.51 0 3 -1 48 348.234 2

Activity (Go SEA)

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