UCSF

ZINC36877339

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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 5.23 -47.14 3 3 1 45 240.689 3
Hi High (pH 8-9.5) 2.03 3.83 -8.94 2 3 0 41 239.681 3
Hi High (pH 8-9.5) 2.03 3.8 -6.46 2 3 0 41 239.681 3

Activity (Go SEA)

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