UCSF

ZINC06719156

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2006 31 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) 3.16 12.27 -63.92 1 7 1 83 423.489 7
Lo Low (pH 4.5-6) 3.16 12.53 -142.62 2 7 2 84 424.497 7

Activity (Go SEA)

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