UCSF

ZINC52164194

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 16 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) 1.76 4.78 -33.2 2 3 1 34 224.324 7
Hi High (pH 8-9.5) 1.76 2.43 -5.58 1 3 0 33 223.316 7

Activity (Go SEA)

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