UCSF

ZINC40125742

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 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) 2.57 3.3 -59.37 2 6 -1 99 352.366 6
Lo Low (pH 4.5-6) 2.57 2.53 -16.82 3 6 0 96 353.374 6

Activity (Go SEA)

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