UCSF

ZINC51590445

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 25 Yes

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) -0.01 6.27 -46.91 2 6 1 65 352.499 3
Hi High (pH 8-9.5) -0.01 4.11 -16.1 1 6 0 64 351.491 3

Activity (Go SEA)

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