UCSF

ZINC31852727

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2009 25 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) 2.67 10.32 -47.68 1 5 1 51 379.575 5
Hi High (pH 8-9.5) 2.67 7.91 -10.77 0 5 0 49 378.567 5

Activity (Go SEA)

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