UCSF

ZINC62127115

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 0.50 6.72 -46.52 1 6 1 48 285.412 5
Hi High (pH 8-9.5) 0.50 4.02 -11.52 0 6 0 47 284.404 5

Activity (Go SEA)

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