UCSF

ZINC43058606

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 24 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) 4.71 9.9 -10.24 1 3 0 46 312.372 1
Lo Low (pH 4.5-6) 4.71 10.36 -41.79 2 3 1 47 313.38 1
Lo Low (pH 4.5-6) 3.95 9.79 -84.55 2 3 2 45 314.388 1

Activity (Go SEA)

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