UCSF

ZINC32153164

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 20 No

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) 2.52 5.75 -55.62 2 5 -1 88 291.352 5
Lo Low (pH 4.5-6) 2.52 6.2 -56.78 3 5 0 90 292.36 5

Activity (Go SEA)

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