UCSF

ZINC21051002

Substance Information

In ZINC since Heavy atoms Benign functionality
December 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) 3.68 7.13 -35.34 3 3 1 37 356.328 6
Hi High (pH 8-9.5) 3.68 6.43 -37.88 2 3 0 43 355.32 6
Mid Mid (pH 6-8) 3.68 5.66 -36.93 3 3 1 40 356.328 6

Activity (Go SEA)

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