UCSF

ZINC36667079

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 17 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) -0.75 -0.89 -62.58 4 5 1 91 277.391 6
Hi High (pH 8-9.5) -0.75 -1.2 -16.41 3 5 0 89 276.383 6

Activity (Go SEA)

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