UCSF

ZINC06733516

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 28 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) 2.85 2.45 -10.63 4 7 0 117 374.4 4
Lo Low (pH 4.5-6) 2.85 2.75 -60.07 5 7 1 119 375.408 4

Activity (Go SEA)

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