UCSF

ZINC56664241

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2011 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) 3.19 8.41 -51.21 0 4 -1 58 333.392 3
Lo Low (pH 4.5-6) 2.73 10.38 -10.35 1 4 0 55 334.4 3

Activity (Go SEA)

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