UCSF

ZINC17221678

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 25 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) 2.60 4.25 -17.41 2 5 0 78 341.407 9
Hi High (pH 8-9.5) 2.60 5.04 -51.07 1 5 -1 81 340.399 9

Activity (Go SEA)

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