UCSF

ZINC20653291

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 19 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) 1.94 6.8 -39.88 1 4 1 41 260.361 5
Mid Mid (pH 6-8) 1.94 6.66 -43.92 1 4 1 41 260.361 5
Mid Mid (pH 6-8) 1.94 4.34 -6.49 0 4 0 40 259.353 5

Activity (Go SEA)

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