UCSF

ZINC20567690

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 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) 3.23 9.07 -47.82 1 6 1 56 393.463 4
Hi High (pH 8-9.5) 3.23 6.15 -10.89 0 6 0 55 392.455 4
Lo Low (pH 4.5-6) 3.23 8.49 -47.81 1 6 1 56 393.463 4

Activity (Go SEA)

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