UCSF

ZINC22708467

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 36 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) 6.99 18.32 -46.24 3 5 1 64 473.6 3
Mid Mid (pH 6-8) 3.59 9.34 -28.16 4 9 0 139 448.479 9

Activity (Go SEA)

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