UCSF

ZINC34660527

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 20 No

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) 2.14 8.92 -93.45 3 6 2 76 283.372 8
Hi High (pH 8-9.5) 2.14 6.4 -53.67 2 6 1 75 282.364 8

Activity (Go SEA)

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