UCSF

ZINC36851107

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) -0.37 3.47 -50.34 2 5 1 63 239.295 4
Hi High (pH 8-9.5) -0.37 2.15 -11.44 1 5 0 59 238.287 4

Activity (Go SEA)

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