UCSF

ZINC32224907

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 11 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) 2.64 7.43 -45.18 0 2 -1 40 153.201 4
Lo Low (pH 4.5-6) 2.64 5.45 -7.96 1 2 0 37 154.209 4

Activity (Go SEA)

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