UCSF

ZINC27017731

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 30 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) 2.54 8.22 -61.08 0 6 -1 83 399.426 6
Lo Low (pH 4.5-6) 2.54 7.41 -17.47 1 6 0 80 400.434 6
Lo Low (pH 4.5-6) 2.54 7.85 -46.05 2 6 1 81 401.442 6

Activity (Go SEA)

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