UCSF

ZINC79492179

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2012 16 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) 2.52 6.2 -36.01 1 2 1 8 239.305 5
Mid Mid (pH 6-8) 2.52 8.29 -88.32 2 2 2 9 240.313 5

Activity (Go SEA)

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