UCSF

ZINC39967114

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 32 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) 3.09 10.3 -16.21 1 9 0 108 477.543 11
Hi High (pH 8-9.5) 3.28 8.87 -42.14 0 9 -1 115 476.535 11

Activity (Go SEA)

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