UCSF

ZINC32830136

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.36 9.89 -129.44 3 6 2 58 388.556 6
Mid Mid (pH 6-8) 1.36 7.92 -47.83 2 6 1 57 387.548 6
Mid Mid (pH 6-8) 1.36 5.45 -12.81 1 6 0 56 386.54 6

Activity (Go SEA)

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