UCSF

ZINC38718510

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 26 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) 3.25 6.57 -20.41 1 6 0 73 387.486 5
Mid Mid (pH 6-8) 3.25 6.69 -62.46 0 6 -1 75 386.478 5
Lo Low (pH 4.5-6) 3.25 7.01 -40 2 6 1 74 388.494 5

Activity (Go SEA)

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