UCSF

ZINC37822179

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 15 Yes

Other Names:

MFCD12770173

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) -0.70 2.42 -47.14 3 4 1 61 208.285 4
Hi High (pH 8-9.5) -0.70 2.04 -10.85 2 4 0 59 207.277 4
Lo Low (pH 4.5-6) -0.70 2.89 -89.54 4 4 2 62 209.293 4

Activity (Go SEA)

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