UCSF

ZINC32156869

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 20 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) 5.69 7.98 -11.14 1 2 0 37 288.774 3
Mid Mid (pH 6-8) 5.69 8.77 -42.35 0 2 -1 40 287.766 3

Activity (Go SEA)

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