UCSF

ZINC39911594

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 32 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) 5.24 9.38 -13.91 2 6 0 78 433.552 6
Hi High (pH 8-9.5) 5.24 10.3 -40.77 1 6 -1 81 432.544 6

Activity (Go SEA)

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