UCSF

ZINC06901301

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2006 31 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) 5.00 13.85 -39.42 2 5 0 71 414.505 8
Hi High (pH 8-9.5) 5.00 12.49 -52.71 1 5 -1 66 413.497 8

Activity (Go SEA)

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