UCSF

ZINC27833905

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 23 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) -3.68 5.56 -37.44 2 5 1 77 306.345 2
Hi High (pH 8-9.5) -3.68 6.34 -37.21 1 5 0 80 305.337 2

Activity (Go SEA)

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