UCSF

ZINC37851193

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) -0.90 -2.1 -44.31 4 5 1 76 234.316 9
Hi High (pH 8-9.5) -0.90 -3.51 -9.52 3 5 0 71 233.308 9

Activity (Go SEA)

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