UCSF

ZINC43214122

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2010 16 Yes

Other Names:

MFCD01320142

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) 3.07 9.19 -49.63 0 3 -1 57 225.308 7
Lo Low (pH 4.5-6) 3.07 7.22 -11.27 1 3 0 54 226.316 7

Activity (Go SEA)

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