UCSF

ZINC19992784

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 18 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) -0.40 1.41 -78.28 3 5 0 89 283.378 4
Mid Mid (pH 6-8) -0.40 1.61 -54.04 4 5 1 87 284.386 4

Activity (Go SEA)

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

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