UCSF

ZINC05016143

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2006 26 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) 2.10 7.28 -13.29 2 9 0 111 357.37 7
Mid Mid (pH 6-8) 1.35 6.19 -33.09 1 9 -1 118 356.362 6

Activity (Go SEA)

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