UCSF

ZINC36874109

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 Yes

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) 2.65 6.61 -38.59 3 4 1 55 272.372 4
Hi High (pH 8-9.5) 2.65 5.43 -7.74 2 4 0 50 271.364 4
Lo Low (pH 4.5-6) 2.65 7.02 -110.31 4 4 2 56 273.38 4

Activity (Go SEA)

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