UCSF

ZINC36159419

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 30 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) 3.51 9.14 -56.32 3 6 1 80 426.562 9
Hi High (pH 8-9.5) 3.97 6.67 -49.37 2 6 0 83 425.554 9

Activity (Go SEA)

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