UCSF

ZINC42452727

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 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) 0.04 0.91 -35.6 4 5 1 66 203.31 7
Hi High (pH 8-9.5) 0.04 0.57 -38.27 4 5 1 66 203.31 7
Hi High (pH 8-9.5) 0.04 -1.57 -5.26 3 5 0 65 202.302 7
Lo Low (pH 4.5-6) 0.04 3.05 -106.92 5 5 2 67 204.318 7

Activity (Go SEA)

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