UCSF

ZINC16577193

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 23 No

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) 4.52 10.63 -12.44 0 3 0 46 436.147 4
Lo Low (pH 4.5-6) 4.52 10.92 -39.5 1 3 1 47 437.155 4

Activity (Go SEA)

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