UCSF

ZINC42778437

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 2.45 7.02 -37.87 2 2 1 25 260.279 6
Mid Mid (pH 6-8) 2.45 4.91 -4.71 1 2 0 23 259.271 6

Activity (Go SEA)

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