UCSF

ZINC37638654

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2009 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) 3.90 6.87 -54.98 1 3 -1 60 237.234 1
Hi High (pH 8-9.5) 3.90 7.64 -117.6 0 3 -2 63 236.226 1

Activity (Go SEA)

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