UCSF

ZINC32090436

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 16 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) 1.40 5.02 -53.35 3 3 1 48 241.742 5
Mid Mid (pH 6-8) 1.40 4.62 -10.07 2 3 0 46 240.734 5

Activity (Go SEA)

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