UCSF

ZINC34691269

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 30 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) 3.46 10.01 -15.39 0 5 0 42 414.521 8
Lo Low (pH 4.5-6) 3.46 11.34 -62.21 1 5 1 43 415.529 8

Activity (Go SEA)

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