UCSF

ZINC36750108

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 21 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) 3.11 6.69 -41.61 2 4 1 44 296.341 6
Hi High (pH 8-9.5) 3.11 5.34 -5.42 1 4 0 39 295.333 6

Activity (Go SEA)

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