UCSF

ZINC33583651

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 35 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) 4.40 9.22 -22.13 2 8 0 102 488.569 9
Hi High (pH 8-9.5) 4.59 8.15 -48.55 1 8 -1 109 487.561 9

Activity (Go SEA)

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