UCSF

ZINC39267592

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 32 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) 3.74 10.71 -15.17 4 8 0 105 432.528 8
Lo Low (pH 4.5-6) 3.74 11.11 -38.11 5 8 1 107 433.536 8

Activity (Go SEA)

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