UCSF

ZINC70090880

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2011 19 No

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) 3.67 7.09 -11.9 1 3 0 46 310.831 2
Hi High (pH 8-9.5) 4.13 5.23 -45 0 3 -1 49 309.823 2

Activity (Go SEA)

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

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