UCSF

ZINC12222805

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 26 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) 3.01 -1.47 -12.3 1 5 0 60 348.45 6
Lo Low (pH 4.5-6) 3.01 -1.41 -44.78 2 5 1 61 349.458 6
Lo Low (pH 4.5-6) 3.01 -1.35 -40.89 2 5 1 61 349.458 6
Lo Low (pH 4.5-6) 3.01 -1.28 -87.33 3 5 2 62 350.466 6

Activity (Go SEA)

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