UCSF

ZINC62127093

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2011 21 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) -0.82 5.64 -53.72 1 6 1 58 291.375 4
Hi High (pH 8-9.5) -0.82 3.17 -15.2 0 6 0 57 290.367 4

Activity (Go SEA)

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