UCSF

ZINC33828166

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 36 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) 3.48 11.55 -15.02 0 7 0 62 487.648 8
Mid Mid (pH 6-8) 3.48 12.32 -35.89 1 7 1 63 488.656 8
Lo Low (pH 4.5-6) 3.48 14.51 -101.2 2 7 2 64 489.664 8

Activity (Go SEA)

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