UCSF

ZINC21819907

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 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) 4.08 11.49 -103.63 3 2 2 21 298.902 8
Hi High (pH 8-9.5) 4.08 10.58 -34.64 2 2 1 16 297.894 8

Activity (Go SEA)

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