UCSF

ZINC41666051

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 3.27 4.77 -15.02 0 8 0 74 452.507 6
Mid Mid (pH 6-8) 3.27 7.04 -49.36 1 8 1 75 453.515 6
Lo Low (pH 4.5-6) 3.27 7.62 -48.97 1 8 1 75 453.515 6

Activity (Go SEA)

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