UCSF

ZINC54583691

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2010 23 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) 3.53 7.74 -40.46 4 3 1 60 305.401 5
Mid Mid (pH 6-8) 3.53 6.87 -9.04 3 3 0 55 304.393 5

Activity (Go SEA)

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