UCSF

ZINC19433220

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 21 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) 0.17 5.55 -82.34 5 6 2 85 284.367 3
Hi High (pH 8-9.5) 0.17 5.31 -12.05 3 6 0 82 282.351 3
Mid Mid (pH 6-8) 0.17 5.27 -33.84 4 6 1 84 283.359 3

Activity (Go SEA)

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