UCSF

ZINC43915477

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 2.63 5.37 -41.71 2 4 1 38 281.42 10
Hi High (pH 8-9.5) 2.63 4.11 -3.17 1 4 0 34 280.412 10
Mid Mid (pH 6-8) 2.63 6.25 -31.75 2 4 1 35 281.42 10

Activity (Go SEA)

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