UCSF

ZINC36792231

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 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) 4.10 6.8 -36.2 3 3 1 46 281.807 6
Mid Mid (pH 6-8) 4.10 5.85 -5.47 2 3 0 41 280.799 6

Activity (Go SEA)

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