UCSF

ZINC58343539

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 32 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) 2.74 7.92 -24.41 2 9 0 120 437.452 9
Hi High (pH 8-9.5) 3.20 6.03 -55.51 1 9 -1 123 436.444 9

Activity (Go SEA)

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

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