UCSF

ZINC22061372

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 38 No

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) 2.59 12.72 -26.47 2 9 0 100 509.614 7
Lo Low (pH 4.5-6) 2.59 13.16 -63.19 3 9 1 101 510.622 7

Activity (Go SEA)

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