UCSF

ZINC35642851

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 31 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) 3.59 8.79 -17.51 1 8 0 82 448.951 7
Lo Low (pH 4.5-6) 3.59 10.45 -59.12 2 8 1 83 449.959 7

Activity (Go SEA)

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