UCSF

ZINC36678486

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 16 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) 2.03 6.33 -103.78 5 3 2 56 221.348 5
Mid Mid (pH 6-8) -1.26 6.45 -29.24 5 3 1 56 220.34 5

Activity (Go SEA)

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