UCSF

ZINC05765152

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 24 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) 6.41 5.91 -10.76 1 5 0 70 316.364 4
Ref Reference (pH 7) 6.41 7.14 -12.27 1 5 0 70 316.364 4
Hi High (pH 8-9.5) 6.41 7.92 -49.06 0 5 -1 73 315.356 4
Hi High (pH 8-9.5) 6.41 6.73 -45.25 0 5 -1 73 315.356 4
Hi High (pH 8-9.5) 6.41 6.68 -47.14 0 5 -1 73 315.356 4

Activity (Go SEA)

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