UCSF

ZINC10518330

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2007 31 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) 3.83 -4.71 -13.05 2 6 0 92 488.431 8
Hi High (pH 8-9.5) 3.83 -4.13 -36.56 1 6 -1 94 487.423 8

Activity (Go SEA)

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

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