UCSF

ZINC59143015

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2011 35 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) 6.71 13.63 -239.93 8 4 4 66 492.881 6
Hi High (pH 8-9.5) 6.71 11.82 -75.43 6 4 2 57 490.865 6
Hi High (pH 8-9.5) 6.71 11.76 -84.96 6 4 2 57 490.865 6
Hi High (pH 8-9.5) 6.71 12.71 -160.54 7 4 3 62 491.873 6

Activity (Go SEA)

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