UCSF

ZINC36132709

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 21 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) 0.43 3.51 -60.25 1 6 -1 84 297.375 5
Lo Low (pH 4.5-6) 0.43 3.81 -48.77 3 6 1 82 299.391 5
Lo Low (pH 4.5-6) 0.43 1.52 -14.63 2 6 0 81 298.383 5
Lo Low (pH 4.5-6) 0.43 5.81 -78.31 2 6 0 85 298.383 5

Activity (Go SEA)

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