UCSF

ZINC39941320

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2010 13 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) 2.60 4.74 -39.31 2 3 1 43 186.275 3
Mid Mid (pH 6-8) 2.60 3.46 -3.91 1 3 0 38 185.267 3

Activity (Go SEA)

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