UCSF

ZINC39333996

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 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) 3.31 9.39 -12.86 1 7 0 71 423.513 8
Lo Low (pH 4.5-6) 3.31 11.58 -53.07 2 7 1 72 424.521 8

Activity (Go SEA)

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