UCSF

ZINC59696329

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 18 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) 5.44 10.36 -39.09 2 3 1 43 258.426 14
Mid Mid (pH 6-8) 5.44 8.92 -4.54 1 3 0 38 257.418 14

Activity (Go SEA)

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