UCSF

ZINC42458764

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) -0.38 1.49 -104.18 4 4 2 45 217.357 5
Hi High (pH 8-9.5) -0.38 1.15 -33.18 3 4 1 43 216.349 5

Activity (Go SEA)

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