UCSF

ZINC34864452

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 29 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) 4.74 9.45 -17.63 2 6 0 84 428.945 8
Hi High (pH 8-9.5) 4.93 9.47 -56.52 1 6 -1 90 427.937 8

Activity (Go SEA)

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