UCSF

ZINC21644839

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 29 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) 0.01 9.39 -56.23 2 8 1 77 399.519 8
Hi High (pH 8-9.5) 0.01 6.86 -22.53 1 8 0 75 398.511 8

Activity (Go SEA)

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