UCSF

ZINC06255905

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 29 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) 3.10 10.19 -15.15 1 6 0 65 385.471 5
Lo Low (pH 4.5-6) 3.10 10.47 -48.75 2 6 1 66 386.479 5

Activity (Go SEA)

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