UCSF

ZINC14533390

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 39 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) 5.47 13.91 -16.86 3 8 0 101 527.6 10
Lo Low (pH 4.5-6) 5.47 14.19 -38.61 4 8 1 102 528.608 10

Activity (Go SEA)

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