UCSF

ZINC34668447

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 25 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) 2.78 8.81 -48.82 2 5 1 50 344.41 6
Mid Mid (pH 6-8) 2.78 6.58 -9.51 1 5 0 49 343.402 6

Activity (Go SEA)

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