UCSF

ZINC54545789

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 3.50 8.36 -10.57 0 4 0 42 373.25 5
Mid Mid (pH 6-8) 3.50 10.73 -53.84 1 4 1 44 374.258 5

Activity (Go SEA)

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