UCSF

ZINC37824666

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 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) -1.11 -1.98 -44.34 5 6 1 100 230.288 4
Hi High (pH 8-9.5) -1.11 -4.02 -16.84 4 6 0 96 229.28 4

Activity (Go SEA)

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