UCSF

ZINC43396473

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 1.33 4.14 -12.31 3 4 0 60 253.371 7
Mid Mid (pH 6-8) 1.33 4.47 -40.47 4 4 1 61 254.379 7

Activity (Go SEA)

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