UCSF

ZINC43687348

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 27 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) 3.79 9.52 -46.39 2 6 1 69 368.457 9
Hi High (pH 8-9.5) 3.79 7.37 -18.21 1 6 0 68 367.449 9

Activity (Go SEA)

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