UCSF

ZINC42323938

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) 1.98 5.99 -47.3 2 4 1 57 226.344 7
Mid Mid (pH 6-8) 1.98 4.36 -9.86 1 4 0 56 225.336 7

Activity (Go SEA)

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