UCSF

ZINC38515909

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 36 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) 4.45 9.41 -34.22 4 5 1 66 487.664 9
Mid Mid (pH 6-8) 4.45 8.51 -36.02 4 5 1 70 487.664 9

Activity (Go SEA)

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