UCSF

ZINC33794596

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 36 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) 5.19 9.34 -49.17 2 8 1 85 508.668 8
Hi High (pH 8-9.5) 5.19 7.28 -12.57 1 8 0 84 507.66 8

Activity (Go SEA)

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