UCSF

ZINC13126351

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 23 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) 4.41 7.64 -12.88 1 4 0 59 329.421 5
Ref Reference (pH 7) 4.41 8.86 -12.85 1 4 0 59 329.421 5
Lo Low (pH 4.5-6) 4.41 9.36 -31.03 2 4 1 61 330.429 5

Activity (Go SEA)

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