UCSF

ZINC16755260

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2008 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) 3.44 5.63 -16.67 3 8 0 120 386.433 6
Lo Low (pH 4.5-6) 3.44 6.53 -28.03 4 8 1 122 387.441 6
Lo Low (pH 4.5-6) 3.44 2.46 -34.75 4 8 1 122 387.441 6

Activity (Go SEA)

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