UCSF

ZINC46721819

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2010 21 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) 1.68 6.4 -42.21 2 5 1 56 286.355 6
Hi High (pH 8-9.5) 1.68 3.87 -11 1 5 0 54 285.347 6

Activity (Go SEA)

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