UCSF

ZINC16659265

Substance Information

In ZINC since Heavy atoms Benign functionality
September 2nd, 2008 31 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) 5.33 12.52 -19.46 1 7 0 86 453.593 6
Hi High (pH 8-9.5) 5.51 11.46 -50.37 0 7 -1 92 452.585 6

Activity (Go SEA)

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