UCSF

ZINC40125436

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 28 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) 1.46 3.25 -63.99 3 7 -1 122 383.355 6
Lo Low (pH 4.5-6) 1.46 2.48 -21.8 4 7 0 119 384.363 6

Activity (Go SEA)

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