UCSF

ZINC28119087

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2009 24 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) 5.26 5.82 -14.34 2 4 0 66 382.268 3
Hi High (pH 8-9.5) 5.26 6.52 -101.44 0 4 -2 71 380.252 3
Mid Mid (pH 6-8) 5.26 6.44 -46.2 1 4 -1 69 381.26 3

Activity (Go SEA)

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