UCSF

ZINC41514020

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 21 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) 2.01 3.98 -46.93 2 5 1 58 309.773 2
Hi High (pH 8-9.5) 2.01 1.62 -9.43 1 5 0 57 308.765 2

Activity (Go SEA)

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