UCSF

ZINC42449232

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) 0.98 5.67 -111.21 4 3 2 45 224.348 4
Hi High (pH 8-9.5) 0.98 4.05 -43.68 3 3 1 44 223.34 4
Hi High (pH 8-9.5) 0.98 5.29 -32.62 3 3 1 44 223.34 4

Activity (Go SEA)

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