UCSF

ZINC21658946

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 34 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) 4.21 9.6 -16.84 2 7 0 81 450.498 2
Hi High (pH 8-9.5) 4.21 10.39 -43.72 1 7 -1 84 449.49 2

Activity (Go SEA)

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