UCSF

ZINC53131989

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 20 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) 3.16 7.91 -42.79 2 3 1 39 271.384 7
Hi High (pH 8-9.5) 3.16 6.9 -5.24 1 3 0 34 270.376 7
Lo Low (pH 4.5-6) 3.16 8.38 -103.38 3 3 2 40 272.392 7

Activity (Go SEA)

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