UCSF

ZINC39907170

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 33 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) 6.89 16 -11.58 0 4 0 36 434.539 9
Lo Low (pH 4.5-6) 6.89 16.66 -33.15 1 4 1 38 435.547 9

Activity (Go SEA)

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