UCSF

ZINC08827506

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 34 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) -1.10 12.16 -34.59 3 8 1 106 451.51 6
Lo Low (pH 4.5-6) -1.10 12.6 -90.87 4 8 2 108 452.518 6

Activity (Go SEA)

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