UCSF

ZINC05546178

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 30 No

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) 5.90 13.62 -8.93 1 5 0 63 423.582 9
Hi High (pH 8-9.5) 6.43 12.5 -47.92 0 5 -1 65 422.574 10
Lo Low (pH 4.5-6) 6.43 13.76 -31.24 2 5 1 65 424.59 10

Activity (Go SEA)

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