UCSF

ZINC62145265

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2011 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) 3.60 8.82 -38.97 2 4 1 43 321.485 10
Hi High (pH 8-9.5) 3.60 6.61 -8.7 1 4 0 42 320.477 10

Activity (Go SEA)

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