UCSF

ZINC01538517

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 36 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) 6.28 0.84 -45.9 0 8 -1 92 498.998 10
Lo Low (pH 4.5-6) 6.28 1.43 -69.21 1 8 0 93 500.006 10

Activity (Go SEA)

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