UCSF

ZINC41674822

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) 2.38 9.7 -101.68 3 5 2 47 303.491 12
Hi High (pH 8-9.5) 2.38 3.31 -3.6 1 5 0 45 301.475 12
Hi High (pH 8-9.5) 2.38 7.24 -30.39 2 5 1 46 302.483 12
Mid Mid (pH 6-8) 2.38 7.59 -95.09 3 5 2 51 303.491 12
Mid Mid (pH 6-8) 2.38 5.79 -38.63 2 5 1 46 302.483 12

Activity (Go SEA)

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