UCSF

ZINC13550614

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 36 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) 3.00 10.02 -45.56 0 8 -1 101 487.532 9
Mid Mid (pH 6-8) 3.00 8.77 -14.44 1 8 0 98 488.54 9
Mid Mid (pH 6-8) 2.41 9.23 -14.6 0 8 0 95 488.54 9
Lo Low (pH 4.5-6) 3.00 9.08 -44.47 2 8 1 99 489.548 9
Lo Low (pH 4.5-6) 2.41 9.54 -47.61 1 8 1 96 489.548 9

Activity (Go SEA)

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