UCSF

ZINC04525762

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 30 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) 4.67 10.5 -9.49 1 4 0 58 415.876 1
Hi High (pH 8-9.5) 4.67 11.26 -48.4 0 4 -1 60 414.868 1

Activity (Go SEA)

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