UCSF

ZINC36138069

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 20 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) 0.44 4.48 -68.24 0 6 -1 95 304.388 5
Lo Low (pH 4.5-6) 0.44 2.43 -23.26 1 6 0 92 305.396 5

Activity (Go SEA)

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