UCSF

ZINC05126944

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2006 20 Yes

Other Names:

MFCD04092397

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) 3.34 9.95 -12.35 1 4 0 54 284.388 3
Hi High (pH 8-9.5) 3.34 9.47 -39.39 0 4 -1 53 283.38 3

Activity (Go SEA)

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