UCSF

ZINC20049569

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 23 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) 0.85 -0.66 -38.82 1 7 -1 90 360.843 6
Mid Mid (pH 6-8) 0.85 -0.73 -18.23 2 7 0 88 361.851 6
Mid Mid (pH 6-8) 0.85 1.69 -64.11 2 7 0 91 361.851 6
Lo Low (pH 4.5-6) 0.85 1.62 -55.06 3 7 1 89 362.859 6

Activity (Go SEA)

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