UCSF

ZINC36216543

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.79 3.85 -8.16 0 5 0 54 331.869 4
Mid Mid (pH 6-8) 2.79 5.5 -45.57 1 5 1 55 332.877 4

Activity (Go SEA)

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