UCSF

ZINC36638168

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 32 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) 5.92 12.68 -60.36 1 6 1 56 456.632 12
Hi High (pH 8-9.5) 5.92 11.21 -14.85 0 6 0 55 455.624 12

Activity (Go SEA)

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