UCSF

ZINC31934085

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 0.48 -0.21 -68.35 3 8 0 111 321.381 6
Hi High (pH 8-9.5) 0.48 -2.42 -47.7 2 8 -1 110 320.373 6
Lo Low (pH 4.5-6) 0.02 0.56 -54.66 4 8 1 108 322.389 6

Activity (Go SEA)

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