UCSF

ZINC36637915

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) 7.21 16.71 -39.33 1 5 1 51 515.728 9
Hi High (pH 8-9.5) 7.21 14.27 -10.49 0 5 0 49 514.72 9

Activity (Go SEA)

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