UCSF

ZINC52165422

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.31 6.69 -35.11 2 4 1 37 282.452 7
Hi High (pH 8-9.5) 2.31 4.42 -6.92 1 4 0 36 281.444 7
Mid Mid (pH 6-8) 2.31 6.59 -33.93 2 4 1 37 282.452 7

Activity (Go SEA)

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