UCSF

ZINC53344778

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 19 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 7.05 -175.87 4 4 3 29 273.489 10
Hi High (pH 8-9.5) 1.33 3.42 -31.54 2 4 1 23 271.473 10
Mid Mid (pH 6-8) 1.33 4.94 -90.99 3 4 2 28 272.481 10
Mid Mid (pH 6-8) 1.33 5.68 -74.42 3 4 2 24 272.481 10

Activity (Go SEA)

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