UCSF

ZINC12320222

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2008 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.92 12.64 -29.41 2 3 1 33 392.885 3
Lo Low (pH 4.5-6) 4.92 12.91 -96.08 3 3 2 34 393.893 3

Activity (Go SEA)

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