UCSF

ZINC43916691

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 19 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) 2.35 4.11 -40.4 2 3 1 29 261.389 2
Hi High (pH 8-9.5) 2.35 2.91 -3.31 1 3 0 24 260.381 2
Lo Low (pH 4.5-6) 2.35 6.09 -110.14 3 3 2 30 262.397 2

Activity (Go SEA)

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