UCSF

ZINC21715223

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 23 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) 3.12 8.69 -67.75 2 5 0 69 313.401 5
Mid Mid (pH 6-8) 3.12 9.12 -98.36 3 5 1 71 314.409 5

Activity (Go SEA)

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