UCSF

ZINC52304208

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 17 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) 0.91 5.37 -65.15 3 3 1 45 238.261 4
Hi High (pH 8-9.5) 0.91 4.98 -9.78 2 3 0 44 237.253 4
Lo Low (pH 4.5-6) 0.91 5.93 -119.7 4 3 2 47 239.269 4

Activity (Go SEA)

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