UCSF

ZINC43253440

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 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) 1.59 4.57 -56.88 3 4 1 51 316.878 5
Hi High (pH 8-9.5) 1.59 4.26 -9.11 2 4 0 50 315.87 5
Hi High (pH 8-9.5) 1.59 5.96 -40.32 3 4 1 51 316.878 5
Lo Low (pH 4.5-6) 1.59 6.27 -130.2 4 4 2 52 317.886 5

Activity (Go SEA)

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