UCSF

ZINC39911652

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 37 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) 5.49 10.36 -17.22 2 8 0 97 507.631 12
Hi High (pH 8-9.5) 5.26 10.59 -62.07 0 8 -1 96 506.623 12
Hi High (pH 8-9.5) 5.26 11.04 -53.23 0 8 -1 96 506.623 12
Hi High (pH 8-9.5) 5.49 11.29 -46.99 1 8 -1 100 506.623 12

Activity (Go SEA)

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