UCSF

ZINC51571320

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 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 4.89 -43.56 2 3 1 39 251.256 4
Mid Mid (pH 6-8) 2.56 3.44 -6.37 1 3 0 34 250.248 4

Activity (Go SEA)

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