UCSF

ZINC05387244

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 17 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) 2.18 4.09 -12.78 3 5 0 81 231.255 2
Hi High (pH 8-9.5) 2.64 1.94 -48.49 2 5 -1 84 230.247 2

Activity (Go SEA)

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