UCSF

ZINC01290696

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 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) 3.62 10.87 -26.45 2 8 0 96 475.574 6
Lo Low (pH 4.5-6) 3.62 11.64 -86.29 3 8 0 98 476.582 6

Activity (Go SEA)

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