UCSF

ZINC43396224

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 16 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) 2.47 5.85 -10.95 3 3 0 51 237.372 5
Mid Mid (pH 6-8) 2.47 6.16 -36.92 4 3 1 52 238.38 5

Activity (Go SEA)

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