UCSF

ZINC42464773

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 1.71 7.17 -24.67 1 4 1 32 258.773 4
Mid Mid (pH 6-8) 1.71 7.04 -6.77 0 4 0 30 257.765 4

Activity (Go SEA)

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