UCSF

ZINC08439585

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 31 Yes

Other Names:

MFCD04153620

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 1.92 -7.59 0 6 0 74 439.43 8
Mid Mid (pH 6-8) 4.52 2.02 -7.34 0 6 0 74 439.43 8
Mid Mid (pH 6-8) 4.52 3.38 -15.51 0 6 0 74 439.43 8
Mid Mid (pH 6-8) 4.34 1.91 -7.48 0 6 0 74 439.43 8

Activity (Go SEA)

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