UCSF

ZINC44610322

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 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) 0.97 5.03 -45.32 2 7 1 72 262.341 4
Hi High (pH 8-9.5) 0.97 2.97 -8.49 1 7 0 71 261.333 4

Activity (Go SEA)

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