UCSF

ZINC38140927

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2010 26 No

Other Names:

(R)-Humulone

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
Mid Mid (pH 6-8) 2.56 9.73 -14.67 1 5 0 89 362.466 7
Mid Mid (pH 6-8) 3.15 8.83 -41.27 1 5 -1 94 361.458 7
Mid Mid (pH 6-8) 3.15 8.06 -38.43 1 5 -1 94 361.458 6

Activity (Go SEA)

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

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