UCSF

ZINC06293453

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2006 29 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) -2.31 8.95 -33.24 3 8 1 106 387.423 5
Lo Low (pH 4.5-6) -2.31 9.38 -87.18 4 8 2 108 388.431 5

Activity (Go SEA)

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