UCSF

ZINC20468017

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 16 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) 1.86 2.74 -8.34 1 4 0 41 225.336 6
Mid Mid (pH 6-8) 1.86 2.85 -28.67 2 4 1 43 226.344 6

Activity (Go SEA)

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