UCSF

ZINC15011762

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 29 No

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) 5.66 12.23 -20.94 1 7 0 101 405.435 5
Mid Mid (pH 6-8) 5.66 11.82 -45.95 0 7 -1 103 404.427 5

Activity (Go SEA)

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