UCSF

ZINC26333296

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 32 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) 4.06 7.64 -65.5 4 7 1 92 492.305 9
Hi High (pH 8-9.5) 3.88 6.77 -45.68 3 7 0 98 491.297 9
Hi High (pH 8-9.5) 3.88 6.76 -46.43 3 7 0 98 491.297 9

Activity (Go SEA)

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