UCSF

ZINC34679179

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 27 Yes

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) 3.17 13.16 -12.59 0 6 0 53 369.513 3
Lo Low (pH 4.5-6) 3.17 13.54 -26.95 1 6 1 54 370.521 3
Lo Low (pH 4.5-6) 3.17 13.51 -32.99 1 6 1 54 370.521 3

Activity (Go SEA)

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