UCSF

ZINC37854030

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 15 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) 1.42 1.43 -13.36 2 4 0 61 229.663 3
Hi High (pH 8-9.5) 1.42 2.36 -56.42 1 4 -1 64 228.655 3

Activity (Go SEA)

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