UCSF

ZINC43261187

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 16 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) 2.70 4.05 -41.86 3 2 1 31 304.277 3
Hi High (pH 8-9.5) 2.69 5.58 -32.62 3 2 1 30 304.277 3
Hi High (pH 8-9.5) 2.70 3.75 -0.95 2 2 0 29 303.269 3
Lo Low (pH 4.5-6) 2.70 5.89 -112.28 4 2 2 32 305.285 3

Activity (Go SEA)

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