UCSF

ZINC37413427

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 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) 0.54 -0.76 -72.62 4 6 1 111 333.455 4
Hi High (pH 8-9.5) 0.54 -1.81 -20.03 3 6 0 106 332.447 4

Activity (Go SEA)

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