UCSF

ZINC05483702

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 30 No

Other Names:

MFCD02229745

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) 2.86 0.51 -51.13 2 6 1 71 411.453 5
Mid Mid (pH 6-8) 2.86 0.18 -54.89 2 6 1 71 411.453 5
Mid Mid (pH 6-8) 1.83 0.22 -66.68 1 6 1 68 411.453 6

Activity (Go SEA)

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