UCSF

ZINC44893800

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 16 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) 2.19 6.68 -36.98 2 3 1 34 227.372 5
Hi High (pH 8-9.5) 2.37 2.82 -4.54 1 3 0 36 226.364 5

Activity (Go SEA)

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