UCSF

ZINC19990437

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 21 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) 4.43 8.09 -111.04 4 3 2 41 292.467 5
Hi High (pH 8-9.5) 4.43 6.49 -39.44 2 3 0 43 290.451 5
Mid Mid (pH 6-8) 4.43 5.69 -33.38 3 3 1 40 291.459 5
Mid Mid (pH 6-8) 4.43 6.86 -34.1 3 3 1 37 291.459 5

Activity (Go SEA)

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

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