UCSF

ZINC20765179

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 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) 4.56 10.7 -29.47 2 7 0 97 410.499 8
Hi High (pH 8-9.5) 4.56 10.54 -57.47 1 7 -1 95 409.491 8

Activity (Go SEA)

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