UCSF

ZINC34586311

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 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) 4.32 8.92 -7.57 0 1 0 13 219.287 1
Lo Low (pH 4.5-6) 4.32 9.29 -28.45 1 1 1 14 220.295 1

Activity (Go SEA)

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