UCSF

ZINC69234454

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 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) 1.51 6.48 -47.28 2 4 1 54 253.366 6
Mid Mid (pH 6-8) 1.51 5.56 -8.15 1 4 0 49 252.358 6
Mid Mid (pH 6-8) 1.51 5.62 -6.03 1 4 0 49 252.358 6

Activity (Go SEA)

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

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