UCSF

ZINC42452845

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) 0.03 6.37 -173.45 6 5 3 75 226.348 8
Hi High (pH 8-9.5) 0.03 3.68 -41.6 4 5 1 73 224.332 8
Mid Mid (pH 6-8) 0.03 5.85 -112.74 5 5 2 74 225.34 8
Mid Mid (pH 6-8) -0.92 3.95 -87.33 6 5 2 76 225.34 7

Activity (Go SEA)

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