UCSF

ZINC31961465

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 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) 1.37 3.25 -53.24 5 5 1 82 271.344 5
Mid Mid (pH 6-8) 1.37 2.85 -12.56 4 5 0 80 270.336 5
Mid Mid (pH 6-8) 1.37 3.7 -99.88 6 5 2 83 272.352 5

Activity (Go SEA)

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