UCSF

ZINC19790981

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 24 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) 1.62 6.43 -71.24 0 6 -1 99 317.28 3
Hi High (pH 8-9.5) 2.59 6.64 -140.73 0 6 -2 101 316.272 3
Lo Low (pH 4.5-6) 2.59 8.01 -64.74 1 6 -1 103 317.28 3

Activity (Go SEA)

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

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