UCSF

ZINC16679854

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 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) 3.23 10.81 -45.62 2 8 1 77 443.568 10
Hi High (pH 8-9.5) 3.23 8.59 -12.19 1 8 0 76 442.56 10
Mid Mid (pH 6-8) 3.23 11.15 -105.29 3 8 2 79 444.576 10

Activity (Go SEA)

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