UCSF

ZINC21292847

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 29 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) 3.22 7.54 -18.82 2 7 0 101 428.539 6
Hi High (pH 8-9.5) 3.28 6.69 -103.65 0 7 -2 109 426.523 6
Hi High (pH 8-9.5) 3.28 6.62 -53.11 1 7 -1 107 427.531 6
Hi High (pH 8-9.5) 3.22 7.61 -44.24 1 7 -1 103 427.531 6

Activity (Go SEA)

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