UCSF

ZINC36999079

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 15 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) -0.11 3.1 -97.13 5 4 2 61 215.341 4
Hi High (pH 8-9.5) 0.08 0.77 -44.66 4 4 1 67 214.333 4
Hi High (pH 8-9.5) 0.08 0.39 -27.32 3 4 0 66 213.325 4
Hi High (pH 8-9.5) -0.11 2.78 -41.04 4 4 1 60 214.333 4

Activity (Go SEA)

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