UCSF

ZINC43345854

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2010 23 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) 2.99 8.21 -18.81 1 5 0 58 344.362 5
Hi High (pH 8-9.5) 2.62 6.96 -48.34 0 5 -1 64 343.354 6

Activity (Go SEA)

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