UCSF

ZINC21533914

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 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) 2.80 7.36 -19.34 1 4 0 45 322.408 5
Mid Mid (pH 6-8) 2.80 9.77 -67.67 2 4 1 47 323.416 5

Activity (Go SEA)

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