UCSF

ZINC04115547

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 26 Yes

Other Names:

MFCD00835309

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) 4.61 -0.07 -9.08 2 3 0 44 337.426 3
Lo Low (pH 4.5-6) 4.61 0.04 -31.8 3 3 1 45 338.434 3

Activity (Go SEA)

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