UCSF

ZINC35641659

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 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) 2.75 7.99 -16.75 1 8 0 82 434.924 6
Lo Low (pH 4.5-6) 2.75 9.66 -58.12 2 8 1 83 435.932 6

Activity (Go SEA)

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