UCSF

ZINC36638117

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 30 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 11.23 -48.01 1 6 1 56 432.541 9
Hi High (pH 8-9.5) 4.20 8.8 -9.44 0 6 0 55 431.533 9

Activity (Go SEA)

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