UCSF

ZINC14310850

Substance Information

In ZINC since Heavy atoms Benign functionality
July 7th, 2008 23 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) 2.89 7.4 -10.76 1 4 0 45 305.381 4
Lo Low (pH 4.5-6) 2.89 8.14 -86.87 2 4 0 46 306.389 4

Activity (Go SEA)

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