UCSF

ZINC41584013

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 26 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) 3.51 8.61 -47.54 2 5 1 68 353.442 6
Mid Mid (pH 6-8) 3.51 9.39 -31.91 1 5 0 71 352.434 6

Activity (Go SEA)

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