UCSF

ZINC41513071

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 22 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) 2.38 3.3 -8.46 1 5 0 63 303.358 2
Hi High (pH 8-9.5) 2.38 3.89 -41.84 0 5 -1 66 302.35 2
Lo Low (pH 4.5-6) 2.38 5.61 -40.77 2 5 1 64 304.366 2

Activity (Go SEA)

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