UCSF

ZINC45229071

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2010 37 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) 4.33 16.29 -178.45 5 5 3 55 499.723 9
Hi High (pH 8-9.5) 4.33 12.85 -45.21 3 5 1 49 497.707 9
Mid Mid (pH 6-8) 4.33 15.1 -86.95 4 5 2 50 498.715 9
Lo Low (pH 4.5-6) 4.33 14.06 -97.26 4 5 2 53 498.715 9

Activity (Go SEA)

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