UCSF

ZINC00646449

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 28 Yes

Other Names:

MFCD03847684

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) 3.42 9.01 -11.78 2 8 0 94 396.838 4
Lo Low (pH 4.5-6) 3.60 9.11 -38.37 3 8 1 99 397.846 4

Activity (Go SEA)

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