UCSF

ZINC39712847

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 6.59 15.93 -57.06 1 4 1 38 477.119 9
Hi High (pH 8-9.5) 6.59 13.52 -11.37 0 4 0 36 476.111 9

Activity (Go SEA)

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