UCSF

ZINC27221616

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 20 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) 5.69 9.27 -45.44 2 2 1 26 440.608 5
Mid Mid (pH 6-8) 5.69 7.93 -5.02 1 2 0 21 439.6 5

Activity (Go SEA)

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