UCSF

ZINC37084021

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 11 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) 0.88 3.92 -114.07 4 2 2 32 158.289 3
Mid Mid (pH 6-8) 0.88 2.05 -39.06 3 2 1 31 157.281 3
Mid Mid (pH 6-8) 0.88 3.49 -26.55 3 2 1 30 157.281 3

Activity (Go SEA)

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