UCSF

ZINC34930236

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 36 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) 4.33 10.97 -57.22 0 7 -1 92 485.56 11
Lo Low (pH 4.5-6) 4.33 10.22 -13.64 1 7 0 89 486.568 11
Lo Low (pH 4.5-6) 4.33 10.69 -42.81 2 7 1 90 487.576 11

Activity (Go SEA)

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