UCSF

ZINC31961632

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 23 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) 0.30 4.29 -99.69 1 8 -2 125 319.317 6
Mid Mid (pH 6-8) 0.30 4.58 -103.22 2 8 -1 127 320.325 6
Lo Low (pH 4.5-6) 0.30 3.46 -73.31 3 8 0 124 321.333 6

Activity (Go SEA)

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