UCSF

ZINC66498279

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2011 22 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) 1.64 5.33 -40.33 2 5 1 46 310.462 6
Mid Mid (pH 6-8) 1.64 5.21 -41.06 2 5 1 46 310.462 6
Mid Mid (pH 6-8) 1.64 7.38 -100.9 3 5 2 47 311.47 6
Mid Mid (pH 6-8) 1.64 3.16 -8.07 1 5 0 45 309.454 6

Activity (Go SEA)

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