UCSF

ZINC36683087

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 21 No

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) 1.51 5.19 -48.94 3 5 1 74 289.355 4
Hi High (pH 8-9.5) 1.51 4.77 -12.02 2 5 0 73 288.347 4
Hi High (pH 8-9.5) 1.51 4.81 -13.61 2 5 0 73 288.347 4
Hi High (pH 8-9.5) 1.51 4.76 -12.09 2 5 0 73 288.347 4

Activity (Go SEA)

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