UCSF

ZINC10518231

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2007 25 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) 2.37 -7.57 -14.55 2 6 0 92 388.417 6
Hi High (pH 8-9.5) 2.37 -6.99 -38.05 1 6 -1 94 387.409 6

Activity (Go SEA)

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

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