UCSF

ZINC32114092

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 19 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) 3.55 5.98 -36.28 3 3 1 46 266.405 7
Hi High (pH 8-9.5) 3.55 4.72 -5.01 2 3 0 41 265.397 7

Activity (Go SEA)

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