UCSF

ZINC42781037

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 18 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) 2.70 6.64 -12.98 2 3 0 42 277.315 6
Lo Low (pH 4.5-6) 2.70 6.74 -46.77 3 3 1 43 278.323 6

Activity (Go SEA)

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