UCSF

ZINC01068831

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 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) 3.74 5.75 -8.76 3 5 0 88 366.783 2
Lo Low (pH 4.5-6) 3.74 5.99 -60.18 4 5 1 89 367.791 2

Activity (Go SEA)

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