UCSF

ZINC44117418

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 44 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) 5.93 12.09 -53.43 4 10 -1 152 601.724 13
Lo Low (pH 4.5-6) 5.93 10.11 -17.39 5 10 0 150 602.732 13

Activity (Go SEA)

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