UCSF

ZINC45334465

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 30 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) 2.61 10.11 -44.37 2 6 1 63 406.485 6
Lo Low (pH 4.5-6) 2.61 10.42 -90.46 3 6 2 64 407.493 6

Activity (Go SEA)

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