UCSF

ZINC13659926

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 34 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) 4.25 7.93 -97.23 6 6 2 92 466.622 14
Hi High (pH 8-9.5) 4.25 6.77 -50 5 6 1 88 465.614 14

Activity (Go SEA)

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