UCSF

ZINC36160398

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 17 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) -0.53 -0.37 -64.16 3 5 1 78 259.351 3
Lo Low (pH 4.5-6) -0.53 1.36 -153.05 4 5 2 79 260.359 3

Activity (Go SEA)

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