UCSF

ZINC20485813

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 13 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) 3.00 7.29 -110.55 3 2 2 21 188.359 9
Mid Mid (pH 6-8) 3.00 5.07 -37.54 2 2 1 20 187.351 9
Mid Mid (pH 6-8) 3.00 5.79 -32.71 2 2 1 16 187.351 9

Activity (Go SEA)

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