UCSF

ZINC41706042

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 20 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) 2.61 8.85 -14.83 0 3 0 35 268.36 2
Lo Low (pH 4.5-6) 2.61 9.3 -50.91 1 3 1 36 269.368 2

Activity (Go SEA)

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