UCSF

ZINC31947531

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 18 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) 0.91 5.62 -58.37 2 5 1 55 265.362 2
Hi High (pH 8-9.5) 0.91 4.2 -9.95 1 5 0 50 264.354 2

Activity (Go SEA)

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