UCSF

ZINC33414746

Substance Information

In ZINC since Heavy atoms Benign functionality
July 9th, 2009 17 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) 2.51 6.44 -51.49 3 2 1 45 226.299 3
Mid Mid (pH 6-8) 2.51 6.04 -8.94 2 2 0 43 225.291 3

Activity (Go SEA)

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