UCSF

ZINC19924686

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 33 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) 4.29 7.77 -27.01 1 7 0 82 497.93 6
Hi High (pH 8-9.5) 4.29 7.49 -41.93 0 7 -1 81 496.922 6
Mid Mid (pH 6-8) 4.29 7.7 -41.03 2 7 1 80 498.938 6
Mid Mid (pH 6-8) 4.29 7.42 -14.73 1 7 0 78 497.93 6

Activity (Go SEA)

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