UCSF

ZINC47385373

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2010 25 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) 1.16 7.53 -17.33 2 7 0 89 335.367 4
Lo Low (pH 4.5-6) 1.16 8.01 -37 3 7 1 90 336.375 4

Activity (Go SEA)

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