UCSF

ZINC32233047

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 4.42 10.64 -35.2 2 2 1 16 315.456 8
Mid Mid (pH 6-8) 4.42 9.75 -42.09 2 2 1 20 315.456 8
Mid Mid (pH 6-8) 4.42 8.43 -3.23 1 2 0 15 314.448 8

Activity (Go SEA)

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