UCSF

ZINC38678565

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 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) 2.34 4.3 -8.4 1 3 0 46 225.313 3
Hi High (pH 8-9.5) 2.34 4.35 -45.29 0 3 -1 48 224.305 3

Activity (Go SEA)

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