UCSF

ZINC31894751

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 15 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) 1.31 0.75 -50.99 3 4 1 59 225.293 3
Hi High (pH 8-9.5) 1.31 0.36 -9.83 2 4 0 57 224.285 3

Activity (Go SEA)

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