UCSF

ZINC36950748

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 Yes

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) 1.22 3.91 -54.46 3 5 1 76 297.762 6
Hi High (pH 8-9.5) 1.22 2.57 -12.76 2 5 0 71 296.754 6

Activity (Go SEA)

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