UCSF

ZINC36871369

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) -0.04 2.92 -94.44 5 4 2 61 215.341 5
Hi High (pH 8-9.5) 0.14 0.23 -41.75 4 4 1 67 214.333 5
Hi High (pH 8-9.5) 0.14 -0.12 -27.55 3 4 0 66 213.325 5
Hi High (pH 8-9.5) -0.04 2.62 -38.11 4 4 1 60 214.333 5

Activity (Go SEA)

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