UCSF

ZINC37782275

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 1.48 6.76 -38.56 2 4 1 37 268.425 6
Lo Low (pH 4.5-6) 1.48 7.86 -97.42 3 4 2 41 269.433 6
Lo Low (pH 4.5-6) 1.48 5.63 -32.14 2 4 1 40 268.425 6

Activity (Go SEA)

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