UCSF

ZINC39550448

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.86 5.13 -8.83 1 5 0 63 372.424 5
Lo Low (pH 4.5-6) 4.86 6 -30.94 2 5 1 65 373.432 5
Lo Low (pH 4.5-6) 4.86 5.89 -31.58 2 5 1 65 373.432 5

Activity (Go SEA)

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