UCSF

ZINC16097020

Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2008 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) 4.43 5.86 -14.48 2 6 0 92 434.514 6
Hi High (pH 8-9.5) 4.43 5.94 -53.34 1 6 -1 94 433.506 6
Hi High (pH 8-9.5) 4.43 5.93 -42.39 1 6 -1 94 433.506 6
Hi High (pH 8-9.5) 4.43 6 -107.29 0 6 -2 96 432.498 6

Activity (Go SEA)

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