UCSF

ZINC34874735

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 18 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) 3.36 5.78 -3.7 3 2 0 38 258.752 1
Mid Mid (pH 6-8) 3.36 6.74 -43.49 4 2 1 43 259.76 1

Activity (Go SEA)

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