UCSF

ZINC20293571

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 30 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) 3.89 8.91 -16.16 0 6 0 67 450.626 8
Lo Low (pH 4.5-6) 3.89 11.16 -59.55 1 6 1 68 451.634 8

Activity (Go SEA)

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