UCSF

ZINC39846972

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.49 10.59 -13.51 1 3 0 42 342.489 5
Hi High (pH 8-9.5) 5.56 8.93 -48.31 0 3 -1 48 341.481 5

Activity (Go SEA)

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