UCSF

ZINC08430085

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 33 No

Other Names:

MFCD01367220

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) 4.95 0.69 -15.55 0 8 0 110 448.475 8
Mid Mid (pH 6-8) 5.13 1.91 -16.09 0 8 0 110 448.475 8
Mid Mid (pH 6-8) 4.95 0.73 -18.63 0 8 0 110 448.475 8

Activity (Go SEA)

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