UCSF

ZINC40749439

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 20 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) 1.60 8.46 -106.93 4 3 2 37 271.408 2
Mid Mid (pH 6-8) 1.60 6.33 -42.44 3 3 1 36 270.4 2

Activity (Go SEA)

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