UCSF

ZINC25852656

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 26 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) 1.66 6.86 -13.89 1 6 0 73 349.39 6
Lo Low (pH 4.5-6) 1.66 7.3 -44.47 2 6 1 75 350.398 6

Activity (Go SEA)

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