UCSF

ZINC45686534

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 3.09 9.58 -49.24 2 3 1 43 284.807 9
Hi High (pH 8-9.5) 3.09 8.36 -5.65 1 3 0 38 283.799 9

Activity (Go SEA)

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