UCSF

ZINC20924195

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 37 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) 3.29 7.86 -47.36 2 9 1 88 505.643 9
Mid Mid (pH 6-8) 3.29 7.86 -50.31 2 9 1 88 505.643 9
Mid Mid (pH 6-8) 3.29 5.54 -13.6 1 9 0 87 504.635 9

Activity (Go SEA)

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