UCSF

ZINC55107633

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 26 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) 3.19 8.5 -40.11 2 4 1 37 355.502 5
Hi High (pH 8-9.5) 3.19 6.63 -4.51 1 4 0 36 354.494 5

Activity (Go SEA)

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