UCSF

ZINC33670988

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 30 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) 5.38 12.54 -22.05 1 6 0 75 493.471 10
Hi High (pH 8-9.5) 5.57 11.47 -48.04 0 6 -1 82 492.463 10

Activity (Go SEA)

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