UCSF

ZINC19474243

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 18 No

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) 0.05 2.53 -78.66 5 5 2 66 250.346 4
Hi High (pH 8-9.5) 0.05 0.16 -31.17 4 5 1 64 249.338 4
Mid Mid (pH 6-8) -0.08 2.53 -40.2 4 5 1 66 249.338 3
Mid Mid (pH 6-8) -0.08 0.13 -9.47 3 5 0 65 248.33 3

Activity (Go SEA)

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