UCSF

ZINC34975164

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) 1.92 4.38 -8.32 1 3 0 46 217.268 1
Hi High (pH 8-9.5) 2.10 1.82 -45.17 0 3 -1 52 216.26 1

Activity (Go SEA)

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