UCSF

ZINC37800859

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 1.34 3.9 -45.04 3 4 1 51 296.46 5
Hi High (pH 8-9.5) 1.34 3.59 -7.12 2 4 0 50 295.452 5
Lo Low (pH 4.5-6) 1.34 6.14 -103.61 4 4 2 52 297.468 5

Activity (Go SEA)

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