UCSF

ZINC39898573

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 29 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) 5.46 9.6 -9.18 2 5 0 69 413.88 6
Mid Mid (pH 6-8) 5.46 9.49 -11.7 2 5 0 69 413.88 6

Activity (Go SEA)

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