UCSF

ZINC39911968

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 30 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) 6.27 10.78 -9.32 2 5 0 69 468.395 6
Hi High (pH 8-9.5) 6.04 11.23 -50.52 0 5 -1 68 467.387 6
Hi High (pH 8-9.5) 6.04 11.41 -41.76 0 5 -1 68 467.387 6
Hi High (pH 8-9.5) 6.27 11.86 -42.75 1 5 -1 72 467.387 6

Activity (Go SEA)

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