UCSF

ZINC32006046

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 12 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) 0.78 5.34 -8.64 0 2 0 30 161.204 2
Lo Low (pH 4.5-6) 0.78 5.77 -31.59 1 2 1 31 162.212 2

Activity (Go SEA)

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