UCSF

ZINC37052067

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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 4.73 -38.85 3 4 1 51 234.323 3
Mid Mid (pH 6-8) -0.88 5.04 -93.4 4 4 2 52 235.331 3

Activity (Go SEA)

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