UCSF

ZINC37079603

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 1.87 6.27 -117.6 4 2 2 32 220.36 5
Mid Mid (pH 6-8) 1.87 4.63 -44.2 3 2 1 31 219.352 5
Mid Mid (pH 6-8) 1.87 5.89 -28.33 3 2 1 30 219.352 5

Activity (Go SEA)

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