UCSF

ZINC43399552

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 1.31 7.27 -8.34 3 5 0 75 284.363 4
Mid Mid (pH 6-8) 1.31 7.69 -29.96 4 5 1 76 285.371 4

Activity (Go SEA)

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