UCSF

ZINC37857486

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2009 25 No

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) 2.82 7.89 -41.02 2 5 1 68 339.415 5
Mid Mid (pH 6-8) 2.82 8.56 -27.71 1 5 0 71 338.407 5

Activity (Go SEA)

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