UCSF

ZINC69760772

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 15 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) 0.39 2.41 -49.11 3 3 1 44 227.353 3
Hi High (pH 8-9.5) 0.39 2.02 -3.73 2 3 0 42 226.345 3
Lo Low (pH 4.5-6) 0.39 4.06 -127.9 4 3 2 45 228.361 3

Activity (Go SEA)

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

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