UCSF

ZINC34932905

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 36 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) 2.72 9.9 -82.41 1 9 0 102 498.576 12
Lo Low (pH 4.5-6) 2.72 9.14 -60.22 2 9 1 99 499.584 12

Activity (Go SEA)

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