UCSF

ZINC68251012

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2011 26 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) 1.74 10.43 -52.35 2 5 1 54 354.474 6
Hi High (pH 8-9.5) 1.74 7.96 -16 1 5 0 53 353.466 6

Activity (Go SEA)

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