UCSF

ZINC43263055

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 1.82 1.89 -57.45 5 4 1 74 349.318 7
Hi High (pH 8-9.5) 1.82 1.82 -4.85 4 4 0 72 348.31 7
Hi High (pH 8-9.5) 1.82 3.14 -32.22 5 4 1 74 349.318 7
Lo Low (pH 4.5-6) 1.82 3.46 -112.54 6 4 2 75 350.326 7

Activity (Go SEA)

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