UCSF

ZINC34667791

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.24 9.45 -48.81 3 7 1 79 476.504 5
Mid Mid (pH 6-8) 4.24 9.12 -16.86 2 7 0 78 475.496 5

Activity (Go SEA)

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