UCSF

ZINC36731970

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 18 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) 1.09 5.27 -83.47 4 4 2 49 248.374 6
Hi High (pH 8-9.5) 1.09 4.55 -48.78 3 4 1 48 247.366 6
Lo Low (pH 4.5-6) 1.09 7.42 -106.59 4 4 2 49 248.374 6

Activity (Go SEA)

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