UCSF

ZINC42455525

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) -1.44 -1.43 -49.82 5 7 1 109 214.249 4
Mid Mid (pH 6-8) -0.98 -3.07 -61.52 4 7 0 113 213.241 4

Activity (Go SEA)

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