UCSF

ZINC00145896

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 23 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) 1.99 7.7 -13.15 1 6 0 77 308.341 6
Lo Low (pH 4.5-6) 1.99 8.17 -46.39 2 6 1 78 309.349 6

Activity (Go SEA)

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