UCSF

ZINC22059335

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 32 No

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) 2.57 5.42 -18.16 2 6 0 93 452.494 2
Hi High (pH 8-9.5) 2.57 6.17 -61.44 1 6 -1 96 451.486 2

Activity (Go SEA)

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