UCSF

ZINC39226288

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 34 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 11.45 -59.8 1 7 1 71 462.57 2
Hi High (pH 8-9.5) 2.08 9.11 -20.41 0 7 0 70 461.562 2

Activity (Go SEA)

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