UCSF

ZINC40617190

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 19 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) 2.73 9.24 -70.17 1 4 -1 73 258.297 5
Mid Mid (pH 6-8) 4.03 7.23 -138.58 0 4 -2 76 257.289 5
Lo Low (pH 4.5-6) 4.03 6.77 -42.89 2 4 0 74 259.305 5

Activity (Go SEA)

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