UCSF

ZINC57907563

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 20 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) 2.90 8.32 -54.6 2 4 1 57 272.372 3
Hi High (pH 8-9.5) 2.90 6.13 -13.52 1 4 0 56 271.364 3

Activity (Go SEA)

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