UCSF

ZINC34747680

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2009 23 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) 2.66 11.32 -52.76 1 5 1 43 333.481 3
Mid Mid (pH 6-8) 2.66 9.1 -10.86 0 5 0 41 332.473 3

Activity (Go SEA)

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