UCSF

ZINC06178140

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2006 18 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) 0.56 5.9 -51.66 0 7 -1 102 250.234 5
Mid Mid (pH 6-8) 0.56 5.98 -13.32 1 7 0 99 251.242 5
Mid Mid (pH 6-8) 0.56 4.88 -11.41 1 7 0 99 251.242 5

Activity (Go SEA)

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