UCSF

ZINC76802668

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2012 25 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) 2.07 9.19 -54.15 1 5 1 45 340.447 6
Hi High (pH 8-9.5) 2.07 6.83 -11.23 0 5 0 44 339.439 6

Activity (Go SEA)

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