UCSF

ZINC69796525

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 15 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) -0.61 -0.35 -38.72 3 4 1 53 208.285 2
Hi High (pH 8-9.5) -0.61 -0.71 -5.68 2 4 0 51 207.277 2
Lo Low (pH 4.5-6) -0.61 0.64 -96.04 4 4 2 54 209.293 2

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.