UCSF

ZINC21664343

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 32 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) 2.41 4.39 -50.58 4 8 1 104 461.608 8
Hi High (pH 8-9.5) 2.41 2.99 -15.56 3 8 0 100 460.6 8

Activity (Go SEA)

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