UCSF

ZINC31993939

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 3.22 8.22 -70.31 1 4 0 54 271.744 6
Hi High (pH 8-9.5) 3.22 5.76 -54.75 0 4 -1 53 270.736 6

Activity (Go SEA)

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