UCSF

ZINC69506344

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 18 No

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) 0.57 1.55 -50.49 4 5 1 81 254.354 5
Hi High (pH 8-9.5) 0.57 1.16 -11.06 3 5 0 79 253.346 5
Hi High (pH 8-9.5) 0.57 1.16 -9.41 3 5 0 79 253.346 5

Activity (Go SEA)

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

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