UCSF

ZINC44476942

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 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) 0.11 -2.25 -12.63 2 7 0 106 339.167 6
Hi High (pH 8-9.5) 0.11 -2.34 -40.02 1 7 -1 108 338.159 6

Activity (Go SEA)

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