UCSF

ZINC35816090

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 34 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) 3.36 10.26 -19.49 1 8 0 84 480.952 7
Lo Low (pH 4.5-6) 3.36 10.59 -50.06 2 8 1 85 481.96 7

Activity (Go SEA)

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