UCSF

ZINC08440901

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 38 No

Other Names:

MFCD04088520

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) 4.58 -0.72 -56.66 2 7 1 80 534.032 9
Mid Mid (pH 6-8) 4.00 -0.88 -66.59 1 7 1 77 534.032 9

Activity (Go SEA)

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