UCSF

ZINC36946343

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 0.45 2.25 -36.86 2 5 1 55 225.316 3
Lo Low (pH 4.5-6) 0.45 3.08 -119.81 3 5 2 60 226.324 3

Activity (Go SEA)

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