UCSF

ZINC41513856

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 30 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 3.13 8.65 -50.71 2 8 1 104 410.45 4
Hi High (pH 8-9.5) 3.13 6.85 -40.04 0 8 -1 106 408.434 4
Hi High (pH 8-9.5) 3.13 6.28 -10.28 1 8 0 103 409.442 4
Hi High (pH 8-9.5) 3.13 9.22 -50.13 1 8 0 107 409.442 4

Activity (Go SEA)

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