UCSF

ZINC60075619

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 17 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) 2.68 8.43 -107.13 0 4 -2 80 238.283 4
Lo Low (pH 4.5-6) 2.68 6.41 -41.53 1 4 -1 77 239.291 4
Lo Low (pH 4.5-6) 2.68 4.58 -6.2 2 4 0 75 240.299 4
Lo Low (pH 4.5-6) 2.68 6.59 -48.21 1 4 -1 77 239.291 4

Activity (Go SEA)

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