UCSF

ZINC00524856

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 24 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) 2.52 2.99 -54.74 0 6 -1 85 344.416 5
Lo Low (pH 4.5-6) 2.00 4.98 -17.39 1 6 0 79 345.424 5

Activity (Go SEA)

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