UCSF

ZINC00808878

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 26 Yes

Other Names:

MFCD00486833

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) 3.87 -0.66 -9.88 3 5 0 77 381.379 4
Lo Low (pH 4.5-6) 3.87 -0.62 -41.72 4 5 1 78 382.387 4

Activity (Go SEA)

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