UCSF

ZINC39750930

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 33 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) 4.20 10.55 -12.42 2 7 0 83 477.512 9
Hi High (pH 8-9.5) 4.20 10.35 -45.33 1 7 -1 81 476.504 9

Activity (Go SEA)

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