UCSF

ZINC00065145

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.19 -0.74 -42.73 2 2 1 29 225.315 2
Lo Low (pH 4.5-6) 2.19 -0.63 -103.03 3 2 2 31 226.323 2

Activity (Go SEA)

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