UCSF

ZINC35809249

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 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) 2.35 6.38 -23.19 2 9 0 110 476.599 13
Hi High (pH 8-9.5) 2.17 5.25 -55.85 1 9 -1 116 475.591 13

Activity (Go SEA)

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