UCSF

ZINC32133176

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 21 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) 2.28 4.22 -57.68 4 5 1 75 287.339 5
Hi High (pH 8-9.5) 2.28 3.84 -15.63 3 5 0 74 286.331 5

Activity (Go SEA)

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