UCSF

ZINC36780746

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 20 Yes

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) 0.25 -1.6 -14.38 4 7 0 125 296.352 6
Hi High (pH 8-9.5) 0.25 -1.46 -54.16 3 7 -1 127 295.344 6

Activity (Go SEA)

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