UCSF

ZINC20530378

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 29 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) 5.77 11.49 -19.08 1 4 0 63 398.487 6
Hi High (pH 8-9.5) 6.23 10.63 -49.39 0 4 -1 66 397.479 6
Lo Low (pH 4.5-6) 5.77 11.84 -17.09 1 4 0 63 398.487 6

Activity (Go SEA)

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