UCSF

ZINC46345469

Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 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) 2.83 6.55 -40.16 2 3 1 34 266.336 9
Hi High (pH 8-9.5) 2.83 3.86 -5.7 1 3 0 33 265.328 9

Activity (Go SEA)

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