UCSF

ZINC35761483

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 25 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) 3.18 8.03 -10.6 0 5 0 44 351.535 7
Mid Mid (pH 6-8) 3.18 9.97 -42.66 1 5 1 45 352.543 7

Activity (Go SEA)

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