UCSF

ZINC14532048

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 32 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) 2.46 9.63 -17.07 2 8 0 94 440.475 8
Lo Low (pH 4.5-6) 2.46 9.9 -46.49 3 8 1 96 441.483 8

Activity (Go SEA)

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