UCSF

ZINC43248653

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) 1.36 2.24 -44.94 4 4 1 60 270.422 7
Hi High (pH 8-9.5) 1.36 1.88 -6.11 3 4 0 58 269.414 7
Lo Low (pH 4.5-6) 1.36 3.59 -119.25 5 4 2 61 271.43 7

Activity (Go SEA)

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