UCSF

ZINC30284911

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2009 17 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) -0.29 2.03 -50.92 4 5 1 77 240.327 5
Hi High (pH 8-9.5) -0.29 -0.32 -16.35 3 5 0 75 239.319 5

Activity (Go SEA)

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