UCSF

ZINC34938892

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 13 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) 0.01 2.37 -44.17 3 3 1 50 181.259 6
Lo Low (pH 4.5-6) 0.01 2.72 -83.18 4 3 2 51 182.267 6

Activity (Go SEA)

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