UCSF

ZINC43214543

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2010 15 Yes

Other Names:

MFCD11656683

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) -2.06 -3.61 -10.76 3 6 0 91 212.253 4
Lo Low (pH 4.5-6) -2.06 -0.99 -110.86 5 6 2 94 214.269 4

Activity (Go SEA)

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