UCSF

ZINC31916102

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 4.72 11.83 -12.38 0 3 0 41 303.409 3
Mid Mid (pH 6-8) 4.72 12.24 -32.49 1 3 1 42 304.417 3

Activity (Go SEA)

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