UCSF

ZINC36891821

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 14 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) 0.34 4.05 -36.69 2 4 1 43 201.29 5
Lo Low (pH 4.5-6) 0.34 5.23 -105.97 3 4 2 47 202.298 5
Lo Low (pH 4.5-6) 0.34 2.85 -43.79 2 4 1 46 201.29 5

Activity (Go SEA)

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