UCSF

ZINC08702556

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 25 No

Other Names:

MFCD07808671

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.34 9.41 -10.41 0 5 0 65 361.825 6
Mid Mid (pH 6-8) 4.52 9.18 -9.15 0 5 0 65 361.825 6
Mid Mid (pH 6-8) 4.52 10.08 -13.1 0 5 0 65 361.825 6
Mid Mid (pH 6-8) 4.34 9.39 -10.58 0 5 0 65 361.825 6

Activity (Go SEA)

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