UCSF

ZINC36226419

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 0.02 0.01 -26.92 5 4 1 72 182.247 4
Mid Mid (pH 6-8) 0.02 -0.33 -6.86 4 4 0 71 181.239 4

Activity (Go SEA)

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