UCSF

ZINC21950065

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 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) -0.39 -1.74 -60.8 4 5 1 76 212.225 3
Hi High (pH 8-9.5) -0.39 -2.32 -9.3 3 5 0 74 211.217 3

Activity (Go SEA)

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