UCSF

ZINC54374977

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 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) 0.35 1.94 -43.86 4 5 1 76 249.338 2
Hi High (pH 8-9.5) 0.35 0.64 -9.88 3 5 0 71 248.33 2
Mid Mid (pH 6-8) 0.35 2.35 -94.57 5 5 2 77 250.346 2

Activity (Go SEA)

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