UCSF

ZINC13125621

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 25 Yes

Other Names:

MFCD04124649

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) 4.60 10.43 -12.67 1 4 0 51 329.403 3
Lo Low (pH 4.5-6) 4.60 10.59 -37.77 2 4 1 52 330.411 2

Activity (Go SEA)

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