UCSF

ZINC06108887

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 25 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) 5.11 10.53 -13.01 2 6 0 98 372.475 4
Lo Low (pH 4.5-6) 5.11 6.86 -35.31 3 6 1 99 373.483 4

Activity (Go SEA)

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