UCSF

ZINC05851655

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 21 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) 2.64 4.44 -39.62 3 5 1 63 358.256 5
Hi High (pH 8-9.5) 2.64 5.21 -48.1 2 5 0 66 357.248 5

Activity (Go SEA)

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