UCSF

ZINC39386812

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -2.93 -8.96 -24.08 6 10 0 168 301.255 4
Hi High (pH 8-9.5) -2.47 -11.66 -69.83 5 10 -1 171 300.247 4

Activity (Go SEA)

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