UCSF

ZINC36637675

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 33 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) 6.03 14.97 -51.43 1 5 1 47 460.623 8
Hi High (pH 8-9.5) 6.03 12.52 -14.02 0 5 0 46 459.615 8

Activity (Go SEA)

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