UCSF

ZINC05669520

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 26 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) 5.74 9.97 -9.34 2 4 0 58 379.872 4
Hi High (pH 8-9.5) 5.74 10.74 -45.38 1 4 -1 60 378.864 4
Mid Mid (pH 6-8) 5.74 10.28 -36.68 3 4 1 59 380.88 4

Activity (Go SEA)

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