UCSF

ZINC36191290

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 1.32 5.05 -87.65 4 3 2 35 249.402 4
Hi High (pH 8-9.5) 1.32 4.65 -34.08 3 3 1 34 248.394 4
Hi High (pH 8-9.5) 1.32 4.3 -36.95 3 3 1 34 248.394 4
Lo Low (pH 4.5-6) 1.32 7.3 -175.69 5 3 3 37 250.41 4

Activity (Go SEA)

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