UCSF

ZINC39911821

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 31 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) 5.33 9.43 -10.34 2 6 0 78 419.525 7
Hi High (pH 8-9.5) 5.10 9.72 -53.36 0 6 -1 77 418.517 7
Hi High (pH 8-9.5) 5.10 10.02 -54.14 0 6 -1 77 418.517 7
Hi High (pH 8-9.5) 5.33 10.4 -39.06 1 6 -1 81 418.517 7

Activity (Go SEA)

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