UCSF

ZINC34797432

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 31 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) 3.94 10.38 -37.58 3 7 1 85 424.521 7
Hi High (pH 8-9.5) 3.94 8.3 -8.82 2 7 0 84 423.513 7

Activity (Go SEA)

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