UCSF

ZINC05118797

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2006 29 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) 3.45 8.58 -41.66 0 6 -1 79 414.865 8
Mid Mid (pH 6-8) 2.87 8.35 -20.1 0 6 0 73 415.873 8
Mid Mid (pH 6-8) 3.90 7.35 -28.14 1 6 0 76 415.873 7

Activity (Go SEA)

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