UCSF

ZINC59699886

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 23 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) 3.94 8.26 -45.06 3 2 1 37 324.366 7
Hi High (pH 8-9.5) 3.94 7.18 -4.8 2 2 0 32 323.358 7

Activity (Go SEA)

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