UCSF

ZINC43424670

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 0.60 2.75 -109.72 4 4 2 45 267.417 2
Hi High (pH 8-9.5) 0.60 2.92 -37.41 3 4 1 43 266.409 2
Hi High (pH 8-9.5) 0.60 0.32 -43.14 3 4 1 43 266.409 2

Activity (Go SEA)

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