UCSF

ZINC44610123

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 21 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) -0.22 3.69 -128.42 4 8 2 91 292.391 5
Hi High (pH 8-9.5) -0.22 1.63 -8.42 2 8 0 88 290.375 5
Mid Mid (pH 6-8) -0.22 2.03 -51.87 3 8 1 90 291.383 5

Activity (Go SEA)

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