UCSF

ZINC42446754

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) 2.12 5.76 -46.8 3 4 1 63 248.35 6
Mid Mid (pH 6-8) 2.12 3.92 -6.8 2 4 0 62 247.342 6

Activity (Go SEA)

Rings

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