UCSF

ZINC51397405

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2010 15 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) 0.71 3.24 -41.7 3 4 1 53 210.301 5
Hi High (pH 8-9.5) 0.71 2.84 -5.38 2 4 0 51 209.293 5
Lo Low (pH 4.5-6) 0.71 3.53 -103.3 4 4 2 54 211.309 5
Lo Low (pH 4.5-6) 0.71 3.14 -23.84 3 4 1 53 210.301 5

Activity (Go SEA)

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