UCSF

ZINC05154633

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.79 5.75 -27.29 1 5 0 66 274.299 3
Mid Mid (pH 6-8) 2.33 7.42 -12.75 1 5 0 62 274.299 3

Activity (Go SEA)

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