UCSF

ZINC19927501

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 28 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) 2.55 8.24 -60.98 4 6 1 80 401.918 4
Hi High (pH 8-9.5) 2.55 7.92 -19.07 3 6 0 79 400.91 4

Activity (Go SEA)

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