UCSF

ZINC06255850

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 26 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) 2.51 9.61 -13.26 1 5 0 47 371.506 8
Lo Low (pH 4.5-6) 2.51 10.07 -40.32 2 5 1 48 372.514 8

Activity (Go SEA)

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