UCSF

ZINC69232444

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 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) -1.50 4.79 -68.87 4 5 1 75 268.381 4
Hi High (pH 8-9.5) -1.50 4.78 -34.9 3 5 0 74 267.373 4
Mid Mid (pH 6-8) -1.50 4.99 -63.05 4 5 1 75 268.381 4
Lo Low (pH 4.5-6) -1.50 6.99 -140.4 5 5 2 77 269.389 4

Activity (Go SEA)

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

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