UCSF

ZINC43966424

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 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) 2.62 6.21 -32.29 2 4 1 35 293.431 7
Mid Mid (pH 6-8) 2.62 7.69 -116.6 3 4 2 40 294.439 7

Activity (Go SEA)

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