UCSF

ZINC40641215

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 15 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) 0.81 6.47 -42.87 3 3 1 45 202.281 4
Lo Low (pH 4.5-6) 0.81 6.93 -99.38 4 3 2 47 203.289 4

Activity (Go SEA)

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