UCSF

ZINC36754443

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 19 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) 0.04 1.26 -47.78 4 5 1 77 259.333 2
Lo Low (pH 4.5-6) 0.04 3.49 -108.43 5 5 2 78 260.341 2

Activity (Go SEA)

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