UCSF

ZINC38255171

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 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) 2.45 9.3 -51.31 1 3 1 52 240.33 3
Hi High (pH 8-9.5) 2.45 7.08 -8.92 0 3 0 51 239.322 3

Activity (Go SEA)

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