UCSF

ZINC42736190

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 18 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) 2.10 5.38 -53.21 3 3 1 44 260.386 2
Hi High (pH 8-9.5) 2.10 4.98 -5.87 2 3 0 42 259.378 2
Hi High (pH 8-9.5) 2.10 5.45 -29.31 3 3 1 43 260.386 2

Activity (Go SEA)

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