UCSF

ZINC41734515

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 19 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) 0.49 6.36 -41.54 3 4 1 59 265.377 3
Hi High (pH 8-9.5) 0.49 6.05 -7.94 2 4 0 57 264.369 3

Activity (Go SEA)

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