UCSF

ZINC20925052

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 22 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) 4.53 11.52 -39.69 2 2 1 26 298.45 9
Hi High (pH 8-9.5) 4.53 10.42 -3.28 1 2 0 21 297.442 9

Activity (Go SEA)

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