UCSF

ZINC35619403

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 17 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) 1.67 4.84 -92.96 4 3 2 35 235.375 3
Hi High (pH 8-9.5) 1.67 2.49 -40.11 3 3 1 34 234.367 3
Hi High (pH 8-9.5) 1.67 4.62 -32.16 3 3 1 34 234.367 3
Hi High (pH 8-9.5) 1.67 2.27 -1.87 2 3 0 32 233.359 3

Activity (Go SEA)

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