UCSF

ZINC37052059

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) -0.43 3.64 -13.48 3 5 0 75 273.336 4
Mid Mid (pH 6-8) -0.43 3.95 -49.23 4 5 1 77 274.344 4

Activity (Go SEA)

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