UCSF

ZINC31898970

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 20 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) 2.70 7.69 -53.82 3 2 1 37 294.777 4
Hi High (pH 8-9.5) 2.70 7.3 -5.42 2 2 0 35 293.769 4

Activity (Go SEA)

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