UCSF

ZINC37847536

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) -0.08 0.07 -38.56 3 5 1 65 236.332 11
Hi High (pH 8-9.5) -0.08 -1.16 -7.79 2 5 0 60 235.324 11

Activity (Go SEA)

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