UCSF

ZINC05154500

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 21 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) 3.54 5.98 -40.03 1 5 -1 74 287.318 4
Mid Mid (pH 6-8) 3.09 7.54 -12.36 2 5 0 71 288.326 4

Activity (Go SEA)

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