UCSF

ZINC39327917

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 27 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) 1.88 5.18 -10.94 3 6 0 94 375.457 4
Lo Low (pH 4.5-6) 1.88 5.59 -38.39 4 6 1 95 376.465 4

Activity (Go SEA)

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