UCSF

ZINC34931591

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 35 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) 5.32 12.67 -56.12 0 6 -1 77 486.548 5
Lo Low (pH 4.5-6) 5.32 11.94 -13.43 1 6 0 74 487.556 5

Activity (Go SEA)

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