UCSF

ZINC33829518

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 19 Yes

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) 3.37 8.21 -8.97 0 3 0 33 260.381 5
Lo Low (pH 4.5-6) 3.37 8.79 -27.96 1 3 1 34 261.389 5

Activity (Go SEA)

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