UCSF

ZINC28975231

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2009 25 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.75 7.15 -18.08 1 5 0 61 373.455 4
Hi High (pH 8-9.5) 2.75 8.08 -62.64 0 5 -1 64 372.447 4

Activity (Go SEA)

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