UCSF

ZINC01209353

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 28 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) 3.53 7.55 -41.35 0 6 -1 76 415.878 5
Lo Low (pH 4.5-6) 3.07 9.25 -11.08 1 6 0 73 416.886 5

Activity (Go SEA)

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