UCSF

ZINC08846128

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 32 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) 2.81 3.38 -16.15 0 8 0 109 431.379 3
Lo Low (pH 4.5-6) 2.81 3.5 -40.33 1 8 1 110 432.387 3

Activity (Go SEA)

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