UCSF

ZINC42461701

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 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) 0.55 2.54 -91.06 4 3 2 35 201.358 3
Hi High (pH 8-9.5) 0.55 0.41 -40.19 3 3 1 34 200.35 3

Activity (Go SEA)

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