UCSF

ZINC26898320

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 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) 2.64 6.96 -121.64 4 2 2 33 240.35 2
Hi High (pH 8-9.5) 2.64 4.9 -2.44 2 2 0 24 238.334 2
Mid Mid (pH 6-8) 2.64 5.68 -40.78 3 2 1 29 239.342 2

Activity (Go SEA)

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