UCSF

ZINC37039973

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 Yes

Download: MOL2 SDF SMILES Flexibase

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) -1.15 0.25 -102.25 6 5 2 78 244.383 7
Hi High (pH 8-9.5) -1.15 0.44 -91.1 6 5 2 78 244.383 7
Hi High (pH 8-9.5) -1.15 -1.57 -47.74 5 5 1 77 243.375 7

Activity (Go SEA)

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