UCSF

ZINC37872759

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 18 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) 3.07 5.46 -41.92 3 2 1 37 256.316 4
Hi High (pH 8-9.5) 3.07 4.3 -4.41 2 2 0 32 255.308 4

Activity (Go SEA)

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