UCSF

ZINC33817351

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 36 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) 4.29 13.76 -21.56 1 9 0 108 523.64 12
Hi High (pH 8-9.5) 4.47 12.69 -54.68 0 9 -1 115 522.632 12

Activity (Go SEA)

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