UCSF

ZINC47538189

Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 2010 27 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) 3.11 6.43 -51.14 3 5 1 57 388.919 7
Hi High (pH 8-9.5) 3.11 4.93 -41.99 1 5 -1 59 386.903 7
Mid Mid (pH 6-8) 3.11 4.16 -12.02 2 5 0 56 387.911 7
Mid Mid (pH 6-8) 3.11 6.42 -47.73 3 5 1 57 388.919 7

Activity (Go SEA)

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