UCSF

ZINC37079657

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) 2.15 6.44 -123.33 4 2 2 32 240.778 5
Mid Mid (pH 6-8) 2.15 4.54 -46.18 3 2 1 31 239.77 5
Mid Mid (pH 6-8) 2.15 6.87 -30.23 3 2 1 30 239.77 5

Activity (Go SEA)

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