UCSF

ZINC56681995

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2011 24 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) 2.95 8.77 -32.78 1 5 1 52 344.46 4
Hi High (pH 8-9.5) 2.95 8.38 -11.87 0 5 0 51 343.452 4

Activity (Go SEA)

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