UCSF

ZINC33756860

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 33 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) 4.63 13.48 -50.19 1 6 0 74 450.579 12
Hi High (pH 8-9.5) 4.63 11.25 -43.67 0 6 -1 73 449.571 12
Lo Low (pH 4.5-6) 4.63 12.35 -47.12 2 6 1 71 451.587 12

Activity (Go SEA)

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