UCSF

ZINC28971024

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2009 19 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) 2.08 5.69 -15.29 1 5 0 60 292.389 2
Hi High (pH 8-9.5) 2.15 4.58 -45.2 0 5 -1 66 291.381 2

Activity (Go SEA)

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