UCSF

ZINC10515508

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2007 26 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) 1.45 -4.31 -18.22 1 7 0 84 376.434 4
Hi High (pH 8-9.5) 1.45 -3.74 -45.58 0 7 -1 87 375.426 4

Activity (Go SEA)

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

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