UCSF

ZINC43477496

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 2.98 6.89 -54.32 3 4 1 54 288.758 4
Mid Mid (pH 6-8) 2.98 7.33 -84.66 4 4 2 55 289.766 4

Activity (Go SEA)

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