UCSF

ZINC14975959

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 27 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) 0.51 3.16 -50.42 3 7 1 79 378.493 10
Hi High (pH 8-9.5) 0.51 1.75 -13.31 2 7 0 74 377.485 10

Activity (Go SEA)

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