UCSF

ZINC43413754

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) -0.16 0.75 -74.79 5 7 0 126 285.344 7
Hi High (pH 8-9.5) -0.16 0.34 -49.84 4 7 -1 124 284.336 7
Lo Low (pH 4.5-6) -0.16 -1.22 -51.23 6 7 1 123 286.352 7

Activity (Go SEA)

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