UCSF

ZINC05062066

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2006 22 No

Other Names:

MFCD02107870

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) 0.97 1.95 -53.17 2 5 1 62 307.345 5
Mid Mid (pH 6-8) 0.97 1.54 -58.8 2 5 1 62 307.345 4
Mid Mid (pH 6-8) 0.39 1.72 -68.01 1 5 1 58 307.345 5

Activity (Go SEA)

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