UCSF

ZINC41242604

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 0.19 1.69 -110.68 5 3 2 47 225.311 3
Hi High (pH 8-9.5) 0.19 0.33 -49.24 4 3 1 43 224.303 3

Activity (Go SEA)

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