UCSF

ZINC37803045

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) -0.21 0.37 -48.85 4 6 1 80 283.396 6
Hi High (pH 8-9.5) -0.21 0.04 -14.15 3 6 0 79 282.388 6
Mid Mid (pH 6-8) -0.21 2.56 -104.73 5 6 2 81 284.404 6

Activity (Go SEA)

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