UCSF

ZINC39262081

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 28 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) 2.48 9.87 -15.69 0 6 0 50 378.476 6
Mid Mid (pH 6-8) 2.48 8.99 -32.43 1 6 1 51 379.484 6
Lo Low (pH 4.5-6) 2.48 11.18 -104.35 2 6 2 53 380.492 6

Activity (Go SEA)

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