UCSF

ZINC39912150

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 34 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) 6.69 11.54 -11.73 2 6 0 78 459.59 10
Hi High (pH 8-9.5) 6.69 12.5 -42.1 1 6 -1 81 458.582 10

Activity (Go SEA)

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