UCSF

ZINC42462961

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) 0.89 2.4 -42.63 3 4 1 57 229.344 2
Mid Mid (pH 6-8) 0.89 1.98 -4.95 2 4 0 56 228.336 2

Activity (Go SEA)

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