UCSF

ZINC43261329

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) 1.32 0.91 -48.08 4 3 1 51 306.249 4
Hi High (pH 8-9.5) 1.32 0.34 -2.29 3 3 0 49 305.241 4
Hi High (pH 8-9.5) 1.32 2.61 -32.43 4 3 1 51 306.249 4
Lo Low (pH 4.5-6) 1.32 3.06 -133.05 5 3 2 52 307.257 4

Activity (Go SEA)

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