UCSF

ZINC06658102

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2006 23 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) 1.00 6.74 -46.31 0 7 -1 88 322.337 6
Lo Low (pH 4.5-6) 1.00 4.78 -14.32 1 7 0 85 323.345 6

Activity (Go SEA)

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