UCSF

ZINC45624353

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 0.47 3.35 -13.53 2 6 0 76 356.22 4
Lo Low (pH 4.5-6) 0.47 5.48 -48.27 3 6 1 77 357.228 4

Activity (Go SEA)

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