UCSF

ZINC26510965

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 11 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) -0.12 0.47 -43.59 4 3 1 47 154.237 3
Hi High (pH 8-9.5) -0.12 -0.77 -3.34 3 3 0 45 153.229 3

Activity (Go SEA)

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