UCSF

ZINC42324318

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 17 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) 2.08 6.65 -47.16 2 4 1 57 240.371 7
Mid Mid (pH 6-8) 2.08 4.66 -15.21 1 4 0 56 239.363 7

Activity (Go SEA)

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