UCSF

ZINC33905956

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 34 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) 8.62 18.14 -15.44 0 4 0 48 485.008 4
Ref Reference (pH 7) 8.62 16.96 -15.84 0 4 0 48 485.008 4
Lo Low (pH 4.5-6) 8.62 17.35 -29.56 1 4 1 49 486.016 4
Lo Low (pH 4.5-6) 8.62 18.57 -28.29 1 4 1 49 486.016 4

Activity (Go SEA)

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