UCSF

ZINC21639717

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 26 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) 4.74 11.07 -7.9 1 4 0 41 413.294 4
Lo Low (pH 4.5-6) 4.74 13.47 -51.82 2 4 1 42 414.302 4

Activity (Go SEA)

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