UCSF

ZINC37820453

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) -0.87 -1.18 -48.61 5 7 1 109 291.397 6
Hi High (pH 8-9.5) -0.87 -1.55 -65.42 4 7 0 111 290.389 6
Hi High (pH 8-9.5) -0.87 -2.49 -17.03 4 7 0 105 290.389 6

Activity (Go SEA)

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