UCSF

ZINC41721628

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 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) 3.79 6.98 -28.63 2 3 1 35 251.309 3
Hi High (pH 8-9.5) 3.79 6.56 -7.3 1 3 0 34 250.301 3

Activity (Go SEA)

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