UCSF

ZINC37819647

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 1.20 1.96 -57.98 3 6 1 85 318.463 4
Mid Mid (pH 6-8) 1.20 2.45 -13.59 2 6 0 84 317.455 4

Activity (Go SEA)

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