UCSF

ZINC39227788

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 34 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) 3.82 8.79 -21.18 2 7 0 83 456.546 6
Mid Mid (pH 6-8) 4.28 8.4 -44.47 2 7 0 88 456.546 6

Activity (Go SEA)

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