UCSF

ZINC29117833

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 21 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) 3.42 11.14 -42.25 1 3 1 22 278.379 3
Mid Mid (pH 6-8) 3.42 8.59 -10.15 0 3 0 21 277.371 3
Lo Low (pH 4.5-6) 3.42 11.56 -90.13 2 3 2 23 279.387 3

Activity (Go SEA)

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