UCSF

ZINC62187380

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2011 20 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) 1.05 7.15 -49.75 1 5 1 45 284.424 6
Hi High (pH 8-9.5) 1.05 5.07 -13.29 0 5 0 44 283.416 6

Activity (Go SEA)

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