UCSF

ZINC41473517

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 24 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) 1.98 7.63 -33.64 2 5 1 62 333.383 6
Hi High (pH 8-9.5) 1.98 7.25 -10.58 1 5 0 60 332.375 6

Activity (Go SEA)

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