UCSF

ZINC22704779

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 26 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) 5.55 11.91 -15.44 2 4 0 65 468.829 4
Hi High (pH 8-9.5) 5.59 11.91 -15.43 2 4 0 67 468.829 3

Activity (Go SEA)

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