UCSF

ZINC62220212

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2011 18 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) 1.95 3.8 -13.43 2 5 0 75 246.266 3
Hi High (pH 8-9.5) 2.40 1.17 -48.51 1 5 -1 78 245.258 3

Activity (Go SEA)

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