UCSF

ZINC34680661

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 30 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) 2.99 9.72 -13.41 1 7 0 79 469.339 4
Mid Mid (pH 6-8) 2.99 10.02 -43.51 2 7 1 80 470.347 4

Activity (Go SEA)

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