UCSF

ZINC23990227

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2009 33 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) 3.58 12.06 -14.08 0 6 0 66 458.587 9
Lo Low (pH 4.5-6) 3.58 12.5 -46.94 1 6 1 68 459.595 9

Activity (Go SEA)

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