UCSF

ZINC41674851

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 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) 2.07 8.55 -115.39 3 5 2 47 301.475 12
Hi High (pH 8-9.5) 2.07 4.77 -3.25 1 5 0 45 299.459 12
Hi High (pH 8-9.5) 2.07 6.19 -34.98 2 5 1 46 300.467 12
Mid Mid (pH 6-8) 2.07 8.46 -99.76 3 5 2 51 301.475 12
Mid Mid (pH 6-8) 2.07 7.23 -42.63 2 5 1 46 300.467 12

Activity (Go SEA)

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