UCSF

ZINC31958925

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 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) 1.44 5.04 -63.33 4 5 1 74 285.302 3
Mid Mid (pH 6-8) 1.44 4.66 -17.87 3 5 0 72 284.294 3
Lo Low (pH 4.5-6) 1.44 5.45 -99.38 5 5 2 75 286.31 3

Activity (Go SEA)

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