UCSF

ZINC05408353

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 31 No

Other Names:

MFCD01173746

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) 4.11 1.75 -46.14 2 6 1 71 423.533 8
Mid Mid (pH 6-8) 3.08 1.5 -46.48 1 6 1 68 423.533 9

Activity (Go SEA)

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