UCSF

ZINC43232144

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 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) -1.37 2.29 -49.37 3 6 1 69 266.369 3
Hi High (pH 8-9.5) -1.37 3.76 -38.39 3 6 1 69 266.369 3
Hi High (pH 8-9.5) -1.37 1.75 -12.79 2 6 0 67 265.361 3
Lo Low (pH 4.5-6) -1.37 3.84 -128.73 4 6 2 70 267.377 3

Activity (Go SEA)

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