UCSF

ZINC13220255

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 16 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) 1.60 7.49 -18.29 0 6 0 77 236.256 3
Lo Low (pH 4.5-6) 1.60 8.03 -97.58 2 6 2 79 238.272 3
Lo Low (pH 4.5-6) 1.60 7.63 -42.05 1 6 1 78 237.264 3

Activity (Go SEA)

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