UCSF

ZINC36959755

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 18 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) 2.40 1.65 -11.09 3 4 0 61 270.76 6
Hi High (pH 8-9.5) 2.40 2.41 -49.1 2 4 -1 64 269.752 6
Hi High (pH 8-9.5) 2.40 3.59 -33.67 3 4 0 69 270.76 6

Activity (Go SEA)

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