UCSF

ZINC05794928

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2006 17 No

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) 2.72 6.63 -9.58 1 3 0 32 299.212 6
Mid Mid (pH 6-8) 2.72 6.72 -28.74 2 3 0 34 300.22 6

Activity (Go SEA)

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