UCSF

ZINC02579945

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 20 Yes

Other Names:

MFCD02260952

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) 4.57 11.81 -48.35 0 3 -1 57 275.368 10
Lo Low (pH 4.5-6) 4.57 9.83 -10.25 1 3 0 54 276.376 10

Activity (Go SEA)

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