UCSF

ZINC31966014

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) 2.60 5.76 -57.64 2 6 -1 94 290.343 6
Lo Low (pH 4.5-6) 2.60 4.64 -17.6 3 6 0 91 291.351 6

Activity (Go SEA)

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