UCSF

ZINC34668008

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 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) 2.71 5.54 -12.85 2 6 0 69 386.471 6
Mid Mid (pH 6-8) 2.71 8.01 -47.11 3 6 1 70 387.479 6
Lo Low (pH 4.5-6) 2.71 8.14 -106.15 4 6 2 71 388.487 6

Activity (Go SEA)

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