UCSF

ZINC39827906

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2010 33 No

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) 4.74 12.73 -66.99 1 6 0 74 515.448 10
Lo Low (pH 4.5-6) 4.74 11.92 -50.61 2 6 1 71 516.456 10

Activity (Go SEA)

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