UCSF

ZINC39911958

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 30 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) 5.42 10.57 -12.54 2 5 0 69 421.566 6
Hi High (pH 8-9.5) 5.42 11.5 -42.79 1 5 -1 72 420.558 6

Activity (Go SEA)

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