UCSF

ZINC39758736

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 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) 2.70 11.29 -23.27 1 9 0 104 486.623 11
Hi High (pH 8-9.5) 2.88 9.75 -55.13 0 9 -1 110 485.615 11

Activity (Go SEA)

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