UCSF

ZINC23991123

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2009 22 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) 1.82 3.7 -39.67 2 6 1 55 308.402 6
Hi High (pH 8-9.5) 1.82 1.49 -13.59 1 6 0 54 307.394 6

Activity (Go SEA)

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