UCSF

ZINC20238577

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 34 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) 6.03 11.11 -51.57 0 6 -1 88 487.944 4
Lo Low (pH 4.5-6) 5.57 13.83 -15.4 1 6 0 85 488.952 4

Activity (Go SEA)

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