UCSF

ZINC42450441

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 1.36 4.77 -8.94 0 3 0 40 223.707 5
Mid Mid (pH 6-8) 1.36 6.9 -56.47 1 3 1 41 224.715 5

Activity (Go SEA)

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