UCSF

ZINC14539685

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) 3.36 10.62 -15.98 2 8 0 94 436.512 9
Lo Low (pH 4.5-6) 3.36 10.9 -40.97 3 8 1 96 437.52 9

Activity (Go SEA)

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