UCSF

ZINC53608993

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2010 20 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) 1.69 6.07 -52.6 2 6 1 69 300.452 9
Hi High (pH 8-9.5) 1.69 4.71 -8.96 1 6 0 65 299.444 9

Activity (Go SEA)

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

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