UCSF

ZINC43253662

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) 2.63 6.85 -88.18 4 3 2 35 317.93 5
Hi High (pH 8-9.5) 2.63 8.44 -96.31 4 3 2 35 317.93 5
Hi High (pH 8-9.5) 2.63 6.15 -34.35 3 3 1 34 316.922 5

Activity (Go SEA)

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