UCSF

ZINC32177173

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 3.65 9.17 -45.91 2 3 1 35 298.406 7
Hi High (pH 8-9.5) 3.65 7.69 -7.36 1 3 0 30 297.398 7

Activity (Go SEA)

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