UCSF

ZINC12122764

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2008 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.49 8.56 -39.54 2 6 1 63 354.43 5
Hi High (pH 8-9.5) 2.49 6.02 -15.09 1 6 0 62 353.422 5

Activity (Go SEA)

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