UCSF

ZINC39642273

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2010 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) 3.19 8.4 -39.92 1 2 1 8 288.242 5
Mid Mid (pH 6-8) 3.19 8.38 -40.54 1 2 1 8 288.242 5
Mid Mid (pH 6-8) 3.19 6.12 -3.16 0 2 0 6 287.234 5

Activity (Go SEA)

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