UCSF

ZINC41515039

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 28 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) 2.33 8.34 -48.36 2 7 1 84 389.472 7
Hi High (pH 8-9.5) 2.33 6.06 -16.25 1 7 0 83 388.464 7

Activity (Go SEA)

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