UCSF

ZINC36637951

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 35 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) 6.72 16.14 -45.79 1 5 1 51 501.701 8
Hi High (pH 8-9.5) 6.72 14.09 -14.45 0 5 0 49 500.693 8

Activity (Go SEA)

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