UCSF

ZINC43248615

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) 1.39 2.29 -51.73 4 4 1 60 270.422 6
Hi High (pH 8-9.5) 1.39 1.78 -7.96 3 4 0 58 269.414 6
Lo Low (pH 4.5-6) 1.39 3.82 -119.88 5 4 2 61 271.43 6

Activity (Go SEA)

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