UCSF

ZINC21983405

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 27 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) 5.89 11.17 -38.17 3 2 1 37 366.569 5
Hi High (pH 8-9.5) 5.89 9.74 -3.93 2 2 0 32 365.561 5

Activity (Go SEA)

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