UCSF

ZINC32066788

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 22 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) 2.48 2.69 -49.43 4 4 1 60 301.41 7
Mid Mid (pH 6-8) 2.48 4.81 -128.78 5 4 2 62 302.418 7

Activity (Go SEA)

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