UCSF

ZINC51398205

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2010 18 Yes

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) 2.42 6.42 -47.35 3 3 1 44 262.764 4
Hi High (pH 8-9.5) 2.42 6.02 -4.42 2 3 0 42 261.756 4
Lo Low (pH 4.5-6) 2.42 6.18 -26.23 3 3 1 43 262.764 4
Lo Low (pH 4.5-6) 2.42 6.57 -106.54 4 3 2 45 263.772 4

Activity (Go SEA)

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