UCSF

ZINC38003349

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 12 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) 1.69 1.78 -44.12 4 2 1 40 250.185 4
Lo Low (pH 4.5-6) 1.69 2.99 -122.35 5 2 2 44 251.193 4

Activity (Go SEA)

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