UCSF

ZINC23038641

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 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) 2.71 8.86 -57.57 2 7 1 81 437.343 6
Hi High (pH 8-9.5) 2.71 6.51 -21.41 1 7 0 80 436.335 6

Activity (Go SEA)

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

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