UCSF

ZINC36159352

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 23 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) 2.44 6.68 -47.95 3 5 1 70 336.481 6
Hi High (pH 8-9.5) 2.90 4.37 -45.18 2 5 0 74 335.473 6

Activity (Go SEA)

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