UCSF

ZINC36137909

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 21 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) 0.81 5.14 -63.98 0 6 -1 95 318.415 6
Lo Low (pH 4.5-6) 0.81 3.16 -20.87 1 6 0 92 319.423 6

Activity (Go SEA)

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