UCSF

ZINC32204478

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 13 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) 2.45 4.36 -4.36 0 2 0 27 180.295 1
Lo Low (pH 4.5-6) 2.45 6.34 -34.46 1 2 1 28 181.303 1

Activity (Go SEA)

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