UCSF

ZINC36637381

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 34 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) 6.46 15.29 -41.68 1 5 1 51 487.674 7
Hi High (pH 8-9.5) 6.46 12.88 -11.15 0 5 0 49 486.666 7

Activity (Go SEA)

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