UCSF

ZINC31947267

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) 0.61 2.33 -51.96 2 5 1 49 248.306 1
Hi High (pH 8-9.5) 0.61 0.92 -7.59 1 5 0 45 247.298 1

Activity (Go SEA)

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