UCSF

ZINC38486937

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2010 25 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) 4.83 8.68 -9.13 0 5 0 58 357.793 6
Lo Low (pH 4.5-6) 4.83 9.1 -31.19 1 5 1 59 358.801 6

Activity (Go SEA)

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