UCSF

ZINC48583560

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 18 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) 4.00 9.19 -42.91 1 2 1 14 327.267 5
Hi High (pH 8-9.5) 4.00 6.86 -5.2 0 2 0 12 326.259 5

Activity (Go SEA)

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