UCSF

ZINC36683070

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) 1.56 4.93 -47.24 3 5 1 74 289.355 4
Hi High (pH 8-9.5) 1.56 4.5 -8.38 2 5 0 73 288.347 4
Hi High (pH 8-9.5) 1.56 4.56 -9.86 2 5 0 73 288.347 4
Hi High (pH 8-9.5) 1.56 4.49 -8.37 2 5 0 73 288.347 4

Activity (Go SEA)

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