UCSF

ZINC42455312

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 0.07 1.78 -11.42 4 6 0 109 233.275 4
Lo Low (pH 4.5-6) 0.07 2 -42.64 5 6 1 110 234.283 4

Activity (Go SEA)

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