UCSF

ZINC25084909

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 33 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) 3.64 8.01 -26.83 2 8 0 111 488.587 10
Hi High (pH 8-9.5) 3.64 8.08 -65.82 1 8 -1 113 487.579 10

Activity (Go SEA)

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