UCSF

ZINC06730247

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 19 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) 2.81 9.13 -10.51 0 5 0 57 283.397 6
Lo Low (pH 4.5-6) 2.81 9.25 -34.63 1 5 1 58 284.405 6

Activity (Go SEA)

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