UCSF

ZINC38601492

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 33 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) 1.58 8.22 -63.28 5 9 1 139 463.551 10
Hi High (pH 8-9.5) 1.58 7.37 -17.68 4 9 0 134 462.543 10
Hi High (pH 8-9.5) 1.58 8.76 -45.19 4 9 0 142 462.543 10

Activity (Go SEA)

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