UCSF

ZINC46345397

Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 2010 20 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) 2.42 6.71 -44.1 2 4 1 58 273.356 9
Hi High (pH 8-9.5) 2.42 4.84 -7.64 1 4 0 56 272.348 9

Activity (Go SEA)

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