UCSF

ZINC51396741

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2010 15 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) 1.04 4.75 -44.39 3 3 1 44 224.353 3
Hi High (pH 8-9.5) 1.04 4.35 -4.58 2 3 0 42 223.345 3
Lo Low (pH 4.5-6) 1.04 4.57 -28.05 3 3 1 43 224.353 3
Lo Low (pH 4.5-6) 1.04 4.97 -110.17 4 3 2 45 225.361 3

Activity (Go SEA)

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