UCSF

ZINC73222722

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2012 18 No

Download: MOL2 SDF SMILES Flexibase

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) 4.00 9.3 -41.27 0 2 -1 40 243.326 4
Mid Mid (pH 6-8) 4.00 7.57 -8.78 1 2 0 37 244.334 4
Mid Mid (pH 6-8) 3.26 9.5 -9.63 0 2 0 34 244.334 4

Activity (Go SEA)

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