UCSF

ZINC35218803

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 21 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) 3.39 4.86 -13.5 2 5 0 76 305.717 4
Hi High (pH 8-9.5) 3.39 5.64 -41.71 1 5 -1 78 304.709 4

Activity (Go SEA)

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