UCSF

ZINC36163045

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) -0.06 1.35 -49.3 2 5 1 71 261.367 1
Hi High (pH 8-9.5) -0.06 0.14 -14.52 1 5 0 66 260.359 1

Activity (Go SEA)

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