UCSF

ZINC36996321

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 2.45 8.27 -33.97 2 5 1 62 276.36 4
Lo Low (pH 4.5-6) 2.45 7.29 -37.74 2 5 1 66 276.36 4
Lo Low (pH 4.5-6) 2.45 9.54 -113.05 3 5 2 67 277.368 4

Activity (Go SEA)

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