UCSF

ZINC39912507

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 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) 5.16 10.55 -14.3 2 6 0 78 457.505 5
Hi High (pH 8-9.5) 5.16 11.37 -42.68 1 6 -1 81 456.497 5

Activity (Go SEA)

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