UCSF

ZINC48264268

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2010 19 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) 3.26 6.89 -13.96 1 5 0 59 320.194 2
Mid Mid (pH 6-8) 3.26 6.46 -40.17 0 5 -1 58 319.186 2

Activity (Go SEA)

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