UCSF

ZINC30560570

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2009 24 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) -0.31 4.44 -28.27 1 8 0 89 349.416 4
Mid Mid (pH 6-8) -0.31 6.83 -60.88 2 8 1 90 350.424 4

Activity (Go SEA)

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