UCSF

ZINC42374144

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 16 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) 0.88 7.37 -35.78 2 3 0 57 286.169 5
Hi High (pH 8-9.5) 0.88 6.06 -40.04 1 3 -1 52 285.161 5

Activity (Go SEA)

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