UCSF

ZINC49302944

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 18 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) 2.00 6.36 -15.96 1 4 0 47 243.31 3
Lo Low (pH 4.5-6) 2.00 6.49 -30.62 2 4 1 48 244.318 3

Activity (Go SEA)

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