UCSF

ZINC12211145

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 23 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) 4.71 10.56 -42.28 2 4 1 42 351.565 7
Hi High (pH 8-9.5) 4.71 8.46 -8.33 1 4 0 41 350.557 7

Activity (Go SEA)

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