UCSF

ZINC05214485

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 22 Yes

Other Names:

MFCD02345124

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) 3.52 -3.06 -9.7 1 5 0 64 321.398 7
Hi High (pH 8-9.5) 3.52 -2.5 -45.85 0 5 -1 66 320.39 7

Activity (Go SEA)

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