UCSF

ZINC21270350

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 18 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) 2.56 5.19 -44.38 1 4 1 42 354.677 2
Mid Mid (pH 6-8) 2.56 2.81 -6.5 0 4 0 41 353.669 2

Activity (Go SEA)

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