UCSF

ZINC59082147

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2011 16 No

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) 2.69 7.29 -43.91 2 3 1 37 227.372 6
Hi High (pH 8-9.5) 2.69 5.92 -7.43 1 3 0 32 226.364 6

Activity (Go SEA)

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