UCSF

ZINC33369891

Substance Information

In ZINC since Heavy atoms Benign functionality
July 8th, 2009 36 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) 5.85 12.08 -56.92 0 7 -1 92 519.624 9
Lo Low (pH 4.5-6) 5.85 11.26 -15.13 1 7 0 89 520.632 9

Activity (Go SEA)

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