UCSF

ZINC54053387

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2010 16 Yes

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) 0.88 2.16 -45.92 2 5 1 68 219.268 4
Hi High (pH 8-9.5) 0.88 0.86 -8.11 1 5 0 64 218.26 4
Lo Low (pH 4.5-6) 0.88 2.62 -85.87 3 5 2 70 220.276 4

Activity (Go SEA)

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