UCSF

ZINC40100756

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 38 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.67 9.09 -64.77 1 8 -1 108 516.57 13
Lo Low (pH 4.5-6) 3.67 8.33 -17.69 2 8 0 106 517.578 13

Activity (Go SEA)

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