UCSF

ZINC39120748

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 13 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) -1.45 2.62 -35.94 3 4 0 81 200.625 3
Hi High (pH 8-9.5) -1.45 2.28 -42.12 2 4 -1 79 199.617 3

Activity (Go SEA)

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