UCSF

ZINC37979121

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 2.64 7.9 -38.25 2 3 1 54 241.314 4
Hi High (pH 8-9.5) 2.64 6.73 -9.7 1 3 0 49 240.306 4

Activity (Go SEA)

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