UCSF

ZINC45653916

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 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) 2.77 8.88 -34.92 2 2 1 16 311.902 3
Hi High (pH 8-9.5) 2.77 6.46 -2.37 1 2 0 15 310.894 3

Activity (Go SEA)

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