UCSF

ZINC39550301

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 34 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) 7.93 14.78 -9.19 0 2 0 25 454.598 5
Lo Low (pH 4.5-6) 7.93 16.74 -30.53 1 2 1 26 455.606 5
Lo Low (pH 4.5-6) 7.93 15.74 -27.46 1 2 1 26 455.606 5

Activity (Go SEA)

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