UCSF

ZINC43391270

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 Yes

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) 3.44 8.55 -40.7 2 2 1 20 297.825 4
Mid Mid (pH 6-8) 3.44 8.81 -110.63 3 2 2 21 298.833 4

Activity (Go SEA)

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