UCSF

ZINC41674788

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) 2.59 9.72 -109.58 3 5 2 47 303.491 13
Hi High (pH 8-9.5) 2.59 5.5 -3.7 1 5 0 45 301.475 13
Hi High (pH 8-9.5) 2.59 7.32 -32.76 2 5 1 46 302.483 13
Mid Mid (pH 6-8) 2.59 7.91 -95.84 3 5 2 51 303.491 13
Mid Mid (pH 6-8) 2.59 7.77 -36.24 2 5 1 46 302.483 13

Activity (Go SEA)

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