UCSF

ZINC37784546

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 0.56 6.39 -41.43 2 5 1 55 291.419 3
Hi High (pH 8-9.5) 0.56 5.39 -12.18 1 5 0 50 290.411 3
Lo Low (pH 4.5-6) 0.56 6.55 -97.58 3 5 2 56 292.427 3

Activity (Go SEA)

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