UCSF

ZINC37836028

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) -0.80 3.63 -48.98 0 7 -1 90 257.266 6
Lo Low (pH 4.5-6) -0.80 1.66 -12.69 1 7 0 87 258.274 6

Activity (Go SEA)

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