UCSF

ZINC22866506

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 27 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) 4.72 11.23 -23.85 1 5 0 60 402.903 7
Hi High (pH 8-9.5) 4.91 10.15 -51.37 0 5 -1 67 401.895 7

Activity (Go SEA)

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