UCSF

ZINC57286259

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2011 31 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) 3.41 9.74 -17.21 0 6 0 54 431.927 4
Mid Mid (pH 6-8) 3.41 10.46 -41.96 1 6 1 56 432.935 4

Activity (Go SEA)

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