UCSF

ZINC33880499

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 39 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) 4.85 12.16 -14.3 2 7 0 74 532.729 10
Mid Mid (pH 6-8) 4.85 14.44 -52.43 3 7 1 75 533.737 10

Activity (Go SEA)

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