UCSF

ZINC39043631

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 18 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) 2.60 6.76 -7.76 0 3 0 39 259.692 1
Lo Low (pH 4.5-6) 2.60 7.23 -41.73 1 3 1 40 260.7 1

Activity (Go SEA)

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