UCSF

ZINC41674855

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 8.67 -108.49 3 5 2 47 301.475 12
Hi High (pH 8-9.5) 2.07 3.82 -3.38 1 5 0 45 299.459 12
Hi High (pH 8-9.5) 2.07 6.19 -31.78 2 5 1 46 300.467 12
Mid Mid (pH 6-8) 2.07 7.52 -95 3 5 2 51 301.475 12
Mid Mid (pH 6-8) 2.07 6.3 -38.71 2 5 1 46 300.467 12

Activity (Go SEA)

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