UCSF

ZINC42458278

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) 1.08 4.29 -96.58 4 4 2 54 225.336 5
Hi High (pH 8-9.5) 1.08 3.89 -23.16 3 4 1 53 224.328 5
Hi High (pH 8-9.5) 1.08 3.81 -48.77 3 4 1 53 224.328 5

Activity (Go SEA)

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