UCSF

ZINC57337638

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2011 29 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) 2.01 6.89 -19.34 1 8 0 94 397.431 7
Hi High (pH 8-9.5) 2.47 4.17 -55.76 0 8 -1 97 396.423 7

Activity (Go SEA)

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