UCSF

ZINC00521014

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 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) 3.48 13.33 -22.43 1 6 0 72 345.406 4
Lo Low (pH 4.5-6) 3.48 14.48 -31.83 3 6 1 77 346.414 4

Activity (Go SEA)

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