UCSF

ZINC31994971

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 1.02 2.73 -111.66 5 4 2 61 278.396 2
Hi High (pH 8-9.5) 1.02 1.56 -40.22 4 4 1 57 277.388 2
Hi High (pH 8-9.5) 1.02 3.51 -118.53 4 4 1 64 277.388 2

Activity (Go SEA)

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