UCSF

ZINC39906843

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 7.40 13.54 -11.54 0 3 0 27 425.359 6
Lo Low (pH 4.5-6) 7.40 14.35 -24.37 1 3 1 28 426.367 6

Activity (Go SEA)

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