UCSF

ZINC53129711

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) 1.33 3.02 -44.87 2 5 1 68 233.295 5
Hi High (pH 8-9.5) 1.33 1.54 -7.51 1 5 0 64 232.287 5
Lo Low (pH 4.5-6) 1.33 3.48 -85.98 3 5 2 70 234.303 5

Activity (Go SEA)

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