UCSF

ZINC12234229

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 35 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) 1.65 5.97 -59.69 2 10 1 110 503.601 7
Hi High (pH 8-9.5) 1.65 3.51 -16.89 1 10 0 108 502.593 7

Activity (Go SEA)

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