UCSF

ZINC42490082

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 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) 1.29 3.95 -97.25 4 3 2 41 202.342 8
Hi High (pH 8-9.5) 1.29 2.44 -31.77 3 3 1 37 201.334 8
Hi High (pH 8-9.5) 1.29 4.48 -38.96 3 3 1 44 201.334 8

Activity (Go SEA)

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